V009-3958 Screening compound: ethyl 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

V009-3958 Screening compound: ethyl 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate
V009-3958 Screening compound: ethyl 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3958
ethyl 2-{[(2,6-dichlorophenyl)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

V009-3958

Molecular Formula

C23H19Cl2N3O2S (C23 H19 Cl2 N3 O2 S)

Compound Name

ethyl 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 2-{[(26-dichlorophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(Cc1ncccc1)c(SCc(c(Cl)ccc1)c1Cl)n2)=O

InChI

InChI=1S/C23H19Cl2N3O2S/c1-2-30-22(29)15-9-10-21-20(12-15)27-23(28(21)13-16-6-3-4-11-26-16)31-14-17-18(24)7-5-8-19(17)25/h3-12H,2,13-14H2,1H3

InChI Key

DSUDLCRIHWYUGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464785

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.516

Distribution Coefficient, logD

6.347

Water Solubility, LogSw

-6.23

Polar Surface Area

40.774

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

V009-3958 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 V009-3958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3958?
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What is the minimum amount of V009-3958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3958
  • 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 V009-3958 available by request