G877-0012 Screening compound: 2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide

G877-0012 Screening compound: 2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
G877-0012 Screening compound: 2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G877-0012
2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethylphenyl)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

G877-0012

Molecular Formula

C18H23N3OS (C18 H23 N3 OS)

Compound Name

2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide

IUPAC name

2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSc1nccn1C1CCCC1)=O

InChI

InChI=1S/C18H23N3OS/c1-2-14-7-9-15(10-8-14)20-17(22)13-23-18-19-11-12-21(18)16-5-3-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,20,22)

InChI Key

MSHUYJOQRJIHHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09239167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

4.108

Water Solubility, LogSw

-3.97

Polar Surface Area

35.866

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G877-0012 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 G877-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G877-0012?
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What is the minimum amount of G877-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G877-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G877-0012
  • 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 G877-0012 available by request