V009-6264 Screening compound: ethyl 1-benzyl-2-[({3-[(trifluoromethyl)sulfanyl]phenyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate

V009-6264 Screening compound: ethyl 1-benzyl-2-[({3-[(trifluoromethyl)sulfanyl]phenyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate
V009-6264 Screening compound: ethyl 1-benzyl-2-[({3-[(trifluoromethyl)sulfanyl]phenyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6264
ethyl 1-benzyl-2-[({3-[(trifluoromethyl)sulfanyl]phenyl}methyl)sulfanyl]-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

V009-6264

Molecular Formula

C25H21F3N2O2S2 (C25 H21 F3 N2 O2 S2)

Compound Name

ethyl 1-benzyl-2-[({3-[(trifluoromethyl)sulfanyl]phenyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 1-benzyl-2-[({3-[(trifluoromethyl)sulfanyl]phenyl}methyl)sulfanyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(Cc1ccccc1)c(SCc1cccc(SC(F)(F)F)c1)n2)=O

InChI

InChI=1S/C25H21F3N2O2S2/c1-2-32-23(31)19-11-12-22-21(14-19)29-24(30(22)15-17-7-4-3-5-8-17)33-16-18-9-6-10-20(13-18)34-25(26,27)28/h3-14H,2,15-16H2,1H3

InChI Key

XYXBLASVQGFGKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964173

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.071

Distribution Coefficient, logD

8.064

Water Solubility, LogSw

-5.75

Polar Surface Area

31.231

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V009-6264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6264?
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What is the minimum amount of V009-6264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6264
  • 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 V009-6264 available by request