G534-2861 Screening compound: 2-({1-[(2-cyanophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide

G534-2861 Screening compound: 2-({1-[(2-cyanophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
G534-2861 Screening compound: 2-({1-[(2-cyanophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-2861
2-({1-[(2-cyanophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide

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

G534-2861

Molecular Formula

C23H17FN4OS (C23 H17 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(Cn2c(SCC(Nc(cc3)ccc3F)=O)nc3c2cccc3)cccc1

InChI

InChI=1S/C23H17FN4OS/c24-18-9-11-19(12-10-18)26-22(29)15-30-23-27-20-7-3-4-8-21(20)28(23)14-17-6-2-1-5-16(17)13-25/h1-12H,14-15H2,(H,26,29)

InChI Key

FMYMBMWIMHCRPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.028

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-4.83

Polar Surface Area

50.683

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

G534-2861 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G534-2861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-2861?
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What is the minimum amount of G534-2861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-2861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-2861
  • 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 G534-2861 available by request