G534-2742 Screening compound: 2-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,3-benzodiazol-1-yl]-N,N-diethylacetamide

G534-2742 Screening compound: 2-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,3-benzodiazol-1-yl]-N,N-diethylacetamide
G534-2742 Screening compound: 2-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,3-benzodiazol-1-yl]-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-2742
2-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,3-benzodiazol-1-yl]-N,N-diethylacetamide

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

G534-2742

Molecular Formula

C23H28N4O2S (C23 H28 N4 O2 S)

Compound Name

2-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,3-benzodiazol-1-yl]-N,N-diethylacetamide

IUPAC name

2-[2-({[(34-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-13-benzodiazol-1-yl]-NN-diethylacetamide

SMILES

CCN(CC)C(Cn1c(SCC(Nc2cc(C)c(C)cc2)=O)nc2c1cccc2)=O

InChI

InChI=1S/C23H28N4O2S/c1-5-26(6-2)22(29)14-27-20-10-8-7-9-19(20)25-23(27)30-15-21(28)24-18-12-11-16(3)17(4)13-18/h7-13H,5-6,14-15H2,1-4H3,(H,24,28)

InChI Key

SBXUPOYXMYCUBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.600

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.32

Polar Surface Area

49.303

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G534-2742 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G534-2742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-2742?
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What is the minimum amount of G534-2742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-2742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-2742
  • 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 G534-2742 available by request