8010-6198 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one

8010-6198 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one
8010-6198 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6198
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one

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

8010-6198

Molecular Formula

C15H11ClN2OS (C15 H11 ClN2 OS)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethan-1-one

SMILES

O=C(CSc1nc(cccc2)c2[nH]1)c(cc1)ccc1Cl

InChI

InChI=1S/C15H11ClN2OS/c16-11-7-5-10(6-8-11)14(19)9-20-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18)

InChI Key

YTSMQPRJZFFLDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00845490

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

302.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.575

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-4.17

Polar Surface Area

31.227

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8010-6198 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with 8010-6198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6198?
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What is the minimum amount of 8010-6198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6198
  • 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 8010-6198 available by request