G534-1202 Screening compound: 2-[(1-{[ethyl(3-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide

G534-1202 Screening compound: 2-[(1-{[ethyl(3-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide
G534-1202 Screening compound: 2-[(1-{[ethyl(3-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-1202
2-[(1-{[ethyl(3-methylphenyl)carbamoyl]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

G534-1202

Molecular Formula

C27H27FN4O2S (C27 H27 FN4 O2 S)

Compound Name

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

IUPAC name

2-[(1-{[ethyl(3-methylphenyl)carbamoyl]methyl}-1H-13-benzodiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide

SMILES

CCN(C(Cn1c(SCC(N(C)c(cc2)ccc2F)=O)nc2c1cccc2)=O)c1cc(C)ccc1

InChI

InChI=1S/C27H27FN4O2S/c1-4-31(22-9-7-8-19(2)16-22)25(33)17-32-24-11-6-5-10-23(24)29-27(32)35-18-26(34)30(3)21-14-12-20(28)13-15-21/h5-16H,4,17-18H2,1-3H3

InChI Key

YXAQJQREDZMOGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.944

Distribution Coefficient, logD

4.943

Water Solubility, LogSw

-4.66

Polar Surface Area

40.682

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G534-1202 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 G534-1202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-1202?
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What is the minimum amount of G534-1202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-1202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-1202
  • 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 G534-1202 available by request