V006-3414 Screening compound: ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazole-5-carboxylate

V006-3414 Screening compound: ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazole-5-carboxylate
V006-3414 Screening compound: ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3414
ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)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

V006-3414

Molecular Formula

C24H19F3N2O2S (C24 H19 F3 N2 O2 S)

Compound Name

ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 2-{[(26-difluorophenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(Cc1cc(F)ccc1)c(SCc(c(F)ccc1)c1F)n2)=O

InChI

InChI=1S/C24H19F3N2O2S/c1-2-31-23(30)16-9-10-22-21(12-16)28-24(29(22)13-15-5-3-6-17(25)11-15)32-14-18-19(26)7-4-8-20(18)27/h3-12H,2,13-14H2,1H3

InChI Key

FDEVKEYVUWDQMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963933

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

456.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.720

Distribution Coefficient, logD

6.719

Water Solubility, LogSw

-5.71

Polar Surface Area

31.231

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V006-3414 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 V006-3414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3414?
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What is the minimum amount of V006-3414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3414
  • 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 V006-3414 available by request