V011-5902 Screening compound: ethyl 2-({[4-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxylate

V011-5902 Screening compound: ethyl 2-({[4-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxylate
V011-5902 Screening compound: ethyl 2-({[4-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5902
ethyl 2-({[4-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]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

V011-5902

Molecular Formula

C26H19F7N2O2S (C26 H19 F7 N2 O2 S)

Compound Name

ethyl 2-({[4-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 2-({[4-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(Cc1ccc(C(F)(F)F)cc1)c(SCc(cc1)c(C(F)(F)F)cc1F)n2)=O

InChI

InChI=1S/C26H19F7N2O2S/c1-2-37-23(36)16-6-10-22-21(11-16)34-24(35(22)13-15-3-7-18(8-4-15)25(28,29)30)38-14-17-5-9-19(27)12-20(17)26(31,32)33/h3-12H,2,13-14H2,1H3

InChI Key

ANSISWVZLLBLKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964211

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

556.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.448

Distribution Coefficient, logD

8.409

Water Solubility, LogSw

-5.75

Polar Surface Area

31.231

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V011-5902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5902?
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What is the minimum amount of V011-5902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5902
  • 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 V011-5902 available by request