G534-1044 Screening compound: 2-[(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide

G534-1044 Screening compound: 2-[(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
G534-1044 Screening compound: 2-[(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-1044
2-[(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide

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

G534-1044

Molecular Formula

C27H28N4O2S (C27 H28 N4 O2 S)

Compound Name

2-[(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide

IUPAC name

2-[(1-{[(26-dimethylphenyl)carbamoyl]methyl}-1H-13-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide

SMILES

CCN(C(CSc1nc(cccc2)c2n1CC(Nc1c(C)cccc1C)=O)=O)c1ccccc1

InChI

InChI=1S/C27H28N4O2S/c1-4-30(21-13-6-5-7-14-21)25(33)18-34-27-28-22-15-8-9-16-23(22)31(27)17-24(32)29-26-19(2)11-10-12-20(26)3/h5-16H,4,17-18H2,1-3H3,(H,29,32)

InChI Key

KMCZRIFZPGHNAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

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

5.302

Distribution Coefficient, logD

5.302

Water Solubility, LogSw

-5.14

Polar Surface Area

47.323

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with G534-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-1044?
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What is the minimum amount of G534-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-1044
  • 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 G534-1044 available by request