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Chemical structure of TMC310911

GC65584

TMC310911

Also known as [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

TMC310911 is a potent and orally active HIV type-1 (HIV-1) protease inhibitor with EC50 values ranged from 2·2 nM to 14·2 nM for wild-type HIV-1

ChemicalCAS1000287-05-7MW755.99FormulaC38H53N5O7S2
CAS number
1000287-05-7
Molecular weight
755.99
Formula
C38H53N5O7S2
Solubility
DMSO ： 100 mg/mL (132·28 mM; Need ultrasonic)
InChIKey
JQUNFHFWXCXPRK-AMMMHQJVSA-N
Catalogue number
GC65584
Brand
GLPBIO
Computed properties PubChem CID 53361968 · XLogP 6.3 · TPSA 179 Ų · H-bond donors 3
XLogP
6.3
TPSA
179 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
15
Heavy atoms
52

SMILES CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(S5)NC6CCN(CC6)C7CCCC7

Computed descriptors from PubChem (CID 53361968), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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