V002-6754 Screening compound: ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

V002-6754 Screening compound: ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate
V002-6754 Screening compound: ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6754
ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

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

V002-6754

Molecular Formula

C24H20N4O2S (C24 H20 N4 O2 S)

Compound Name

ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(Cc1ncccc1)c(SCc(cc1)ccc1C#N)n2)=O

InChI

InChI=1S/C24H20N4O2S/c1-2-30-23(29)19-10-11-22-21(13-19)27-24(28(22)15-20-5-3-4-12-26-20)31-16-18-8-6-17(14-25)7-9-18/h3-13H,2,15-16H2,1H3

InChI Key

ANCMAONHNKAUDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963999

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.610

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.43

Polar Surface Area

57.830

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V002-6754 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V002-6754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6754?
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What is the minimum amount of V002-6754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6754
  • 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 V002-6754 available by request