8015-0898 Screening compound: 5-benzoyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-1H-1,3-benzodiazole

8015-0898 Screening compound: 5-benzoyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-1H-1,3-benzodiazole
8015-0898 Screening compound: 5-benzoyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0898
5-benzoyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-1H-1,3-benzodiazole

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

8015-0898

Molecular Formula

C20H15N3OS (C20 H15 N3 OS)

Compound Name

5-benzoyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

5-benzoyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

O=C(c1ccccc1)c(cc1)cc2c1[nH]c(SCc1cnccc1)n2

InChI

InChI=1S/C20H15N3OS/c24-19(15-6-2-1-3-7-15)16-8-9-17-18(11-16)23-20(22-17)25-13-14-5-4-10-21-12-14/h1-12H,13H2,(H,22,23)

InChI Key

IDVXPZZNAAPEAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.357

Water Solubility, LogSw

-3.75

Polar Surface Area

40.965

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8015-0898 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8015-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0898?
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What is the minimum amount of 8015-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0898
  • 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 8015-0898 available by request