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Chemical structure of BB-Cl-Amidine hydrochloride

GC35480

BB-Cl-Amidine hydrochloride

Also known as N-[(1S)-4-[(1-amino-2-chloroethylidene)amino]-1-(1H-benzimidazol-2-yl)butyl]-4-phenylbenzamide;hydrochloride

BB-Cl-Amidine hydrochloride is a peptidylarginine deminase (PAD) inhibitor

ChemicalCAS2436747-41-8MW496.43FormulaC26H27Cl2N5O
CAS number
2436747-41-8
Molecular weight
496.43
Formula
C26H27Cl2N5O
Solubility
DMSO： ≥ 100 mg/mL (201·44 mM)
InChIKey
APVHRPHXTLAIRI-BQAIUKQQSA-N
Catalogue number
GC35480
Brand
GLPBIO
Computed properties PubChem CID 138377546 · TPSA 96.2 Ų · H-bond donors 4 · H-bond acceptors 3
TPSA
96.2 Ų
H-bond donors
4
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
34

SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N[C@@H](CCCN=C(CCl)N)C3=NC4=CC=CC=C4N3.Cl

Computed descriptors from PubChem (CID 138377546), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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