G534-2747 Screening compound: N-butyl-2-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,3-benzodiazol-1-yl]-N-methylacetamide

G534-2747 Screening compound: N-butyl-2-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,3-benzodiazol-1-yl]-N-methylacetamide
G534-2747 Screening compound: N-butyl-2-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,3-benzodiazol-1-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-2747
N-butyl-2-[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,3-benzodiazol-1-yl]-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

G534-2747

Molecular Formula

C24H30N4O2S (C24 H30 N4 O2 S)

Compound Name

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

IUPAC name

N-butyl-2-[2-({[(34-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-13-benzodiazol-1-yl]-N-methylacetamide

SMILES

CCCCN(C)C(Cn1c(SCC(Nc2cc(C)c(C)cc2)=O)nc2c1cccc2)=O

InChI

InChI=1S/C24H30N4O2S/c1-5-6-13-27(4)23(30)15-28-21-10-8-7-9-20(21)26-24(28)31-16-22(29)25-19-12-11-17(2)18(3)14-19/h7-12,14H,5-6,13,15-16H2,1-4H3,(H,25,29)

InChI Key

MPAYXVBRWNWBGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.928

Distribution Coefficient, logD

4.927

Water Solubility, LogSw

-4.46

Polar Surface Area

49.771

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G534-2747 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Regenerative Medicine Focused Library (23016 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
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with G534-2747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-2747?
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What is the minimum amount of G534-2747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-2747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-2747
  • 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 G534-2747 available by request