8007-0179 Screening compound: 4-(2-methoxyphenyl)-6-phenyl-2-{[(pyridin-4-yl)methyl]sulfanyl}pyridine-3-carbonitrile

8007-0179 Screening compound: 4-(2-methoxyphenyl)-6-phenyl-2-{[(pyridin-4-yl)methyl]sulfanyl}pyridine-3-carbonitrile
8007-0179 Screening compound: 4-(2-methoxyphenyl)-6-phenyl-2-{[(pyridin-4-yl)methyl]sulfanyl}pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0179
4-(2-methoxyphenyl)-6-phenyl-2-{[(pyridin-4-yl)methyl]sulfanyl}pyridine-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

8007-0179

Molecular Formula

C25H19N3OS (C25 H19 N3 OS)

Compound Name

4-(2-methoxyphenyl)-6-phenyl-2-{[(pyridin-4-yl)methyl]sulfanyl}pyridine-3-carbonitrile

IUPAC name

4-(2-methoxyphenyl)-6-phenyl-2-{[(pyridin-4-yl)methyl]sulfanyl}pyridine-3-carbonitrile

SMILES

COc(cccc1)c1-c(cc(-c1ccccc1)nc1SCc2ccncc2)c1C#N

InChI

InChI=1S/C25H19N3OS/c1-29-24-10-6-5-9-20(24)21-15-23(19-7-3-2-4-8-19)28-25(22(21)16-26)30-17-18-11-13-27-14-12-18/h2-15H,17H2,1H3

InChI Key

SATGGLHOAGYCLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

5.183

Water Solubility, LogSw

-5.23

Polar Surface Area

42.286

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

8007-0179 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 8007-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0179?
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What is the minimum amount of 8007-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0179
  • 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 8007-0179 available by request