G534-1212 Screening compound: 2-({1-[(2-cyanophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide

G534-1212 Screening compound: 2-({1-[(2-cyanophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide
G534-1212 Screening compound: 2-({1-[(2-cyanophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-1212
2-({1-[(2-cyanophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G534-1212

Molecular Formula

C24H19FN4OS (C24 H19 FN4 OS)

Compound Name

2-({1-[(2-cyanophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide

IUPAC name

2-({1-[(2-cyanophenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide

SMILES

CN(C(CSc1nc(cccc2)c2n1Cc(cccc1)c1C#N)=O)c(cc1)ccc1F

InChI

InChI=1S/C24H19FN4OS/c1-28(20-12-10-19(25)11-13-20)23(30)16-31-24-27-21-8-4-5-9-22(21)29(24)15-18-7-3-2-6-17(18)14-26/h2-13H,15-16H2,1H3

InChI Key

LLEIYFPRMBWFEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.590

Water Solubility, LogSw

-4.55

Polar Surface Area

42.647

Acid Dissociation Constant (pKa)

18.30

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G534-1212 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G534-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-1212?
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What is the minimum amount of G534-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-1212
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G534-1212 available by request