8003-0185 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile

8003-0185 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
8003-0185 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0185
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile

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

8003-0185

Molecular Formula

C16H13BrN2OS (C16 H13 BrN2 OS)

Compound Name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile

IUPAC name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-46-dimethylpyridine-3-carbonitrile

SMILES

Cc(cc(C)nc1SCC(c(cc2)ccc2Br)=O)c1C#N

InChI

InChI=1S/C16H13BrN2OS/c1-10-7-11(2)19-16(14(10)8-18)21-9-15(20)12-3-5-13(17)6-4-12/h3-7H,9H2,1-2H3

InChI Key

MNAVBXAZJURASL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00486764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.37

Polar Surface Area

38.824

Acid Dissociation Constant (pKa)

18.20

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8003-0185 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8003-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0185?
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What is the minimum amount of 8003-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0185
  • 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 8003-0185 available by request