8008-7812 Screening compound: 2-{[2-(4'-{2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetyl}-[1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile

8008-7812 Screening compound: 2-{[2-(4'-{2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetyl}-[1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile
8008-7812 Screening compound: 2-{[2-(4'-{2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetyl}-[1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7812
2-{[2-(4'-{2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetyl}-[1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-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

8008-7812

Molecular Formula

C34H30N4O2S2 (C34 H30 N4 O2 S2)

Compound Name

2-{[2-(4'-{2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetyl}-[1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile

IUPAC name

2-{[2-(4'-{2-[(3-cyano-456-trimethylpyridin-2-yl)sulfanyl]acetyl}-[11'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-456-trimethylpyridine-3-carbonitrile

SMILES

Cc(c(C)c1C#N)c(C)nc1SCC(c(cc1)ccc1-c(cc1)ccc1C(CSc1nc(C)c(C)c(C)c1C#N)=O)=O

InChI

InChI=1S/C34H30N4O2S2/c1-19-21(3)29(15-35)33(37-23(19)5)41-17-31(39)27-11-7-25(8-12-27)26-9-13-28(14-10-26)32(40)18-42-34-30(16-36)22(4)20(2)24(6)38-34/h7-14H,17-18H2,1-6H3

InChI Key

JCVSCVFULFWWKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01210264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.77

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.391

Distribution Coefficient, logD

7.391

Water Solubility, LogSw

-5.91

Polar Surface Area

78.678

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8008-7812 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8008-7812 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8008-7812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7812
  • 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 8008-7812 available by request