V008-9415 Screening compound: ethyl 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazole-5-carboxylate

V008-9415 Screening compound: ethyl 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazole-5-carboxylate
V008-9415 Screening compound: ethyl 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9415
ethyl 2-{[(3,4-dimethylphenyl)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

V008-9415

Molecular Formula

C26H25FN2O2S (C26 H25 FN2 O2 S)

Compound Name

ethyl 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 2-{[(34-dimethylphenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(Cc1cc(F)ccc1)c(SCc1cc(C)c(C)cc1)n2)=O

InChI

InChI=1S/C26H25FN2O2S/c1-4-31-25(30)21-10-11-24-23(14-21)28-26(29(24)15-19-6-5-7-22(27)13-19)32-16-20-9-8-17(2)18(3)12-20/h5-14H,4,15-16H2,1-3H3

InChI Key

HVOGTRQSFJFQIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464806

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.56

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

7.482

Distribution Coefficient, logD

7.475

Water Solubility, LogSw

-5.64

Polar Surface Area

31.231

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V008-9415 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 V008-9415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9415?
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What is the minimum amount of V008-9415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9415
  • 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 V008-9415 available by request