8013-8109 Screening compound: N~1~-(4-chlorophenyl)-2-[(1-ethyl-1H-1,3-benzimidazol-2-yl)sulfanyl]acetamide

8013-8109 Screening compound: N~1~-(4-chlorophenyl)-2-[(1-ethyl-1H-1,3-benzimidazol-2-yl)sulfanyl]acetamide
8013-8109 Screening compound: N~1~-(4-chlorophenyl)-2-[(1-ethyl-1H-1,3-benzimidazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8109
N~1~-(4-chlorophenyl)-2-[(1-ethyl-1H-1,3-benzimidazol-2-yl)sulfanyl]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

8013-8109

Molecular Formula

C17H16ClN3OS (C17 H16 ClN3 OS)

Compound Name

N~1~-(4-chlorophenyl)-2-[(1-ethyl-1H-1,3-benzimidazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-chlorophenyl)-2-[(1-ethyl-1H-13-benzodiazol-2-yl)sulfanyl]acetamide

SMILES

CCn1c(SCC(Nc(cc2)ccc2Cl)=O)nc2c1cccc2

InChI

InChI=1S/C17H16ClN3OS/c1-2-21-15-6-4-3-5-14(15)20-17(21)23-11-16(22)19-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,22)

InChI Key

YNCRVUGHTHUIIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00106549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.626

Distribution Coefficient, logD

4.626

Water Solubility, LogSw

-4.69

Polar Surface Area

33.623

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8013-8109 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 8013-8109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8109?
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What is the minimum amount of 8013-8109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8109
  • 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 8013-8109 available by request