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Chemical structure of ZINC49534341

GC71413

ZINC49534341

Also known as 2-sulfanylidene-3-(1,3-thiazol-2-ylmethyl)-1H-quinazolin-4-one

ZINC49534341 is a MRGPRX2 antagonist, with a Ki of 32 nM

ChemicalCAS1274013-03-4MW275.35FormulaC12H9N3OS2
CAS number
1274013-03-4
Molecular weight
275.35
Formula
C12H9N3OS2
Solubility
DMSO ： 5 mg/mL (18·16 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
KGOOTXSIHAFXQU-UHFFFAOYSA-N
Catalogue number
GC71413
Brand
GLPBIO
Computed properties PubChem CID 54964597 · XLogP 1.8 · TPSA 106 Ų · H-bond donors 1
XLogP
1.8
TPSA
106 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18

SMILES C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=NC=CS3

Computed descriptors from PubChem (CID 54964597), 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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