G534-2986 Screening compound: N-(4-fluorophenyl)-2-[(1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

G534-2986 Screening compound: N-(4-fluorophenyl)-2-[(1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide
G534-2986 Screening compound: N-(4-fluorophenyl)-2-[(1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-2986
N-(4-fluorophenyl)-2-[(1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]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

G534-2986

Molecular Formula

C24H21FN4O2S (C24 H21 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(Cn1c(SCC(Nc(cc2)ccc2F)=O)nc2c1cccc2)=O

InChI

InChI=1S/C24H21FN4O2S/c1-16-6-2-3-7-19(16)27-22(30)14-29-21-9-5-4-8-20(21)28-24(29)32-15-23(31)26-18-12-10-17(25)11-13-18/h2-13H,14-15H2,1H3,(H,26,31)(H,27,30)

InChI Key

BMUUQCWVZZIGIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.607

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.30

Polar Surface Area

56.078

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G534-2986 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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 G534-2986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-2986?
Check Price and Availability of G534-2986, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G534-2986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-2986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-2986
  • 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 G534-2986 available by request