V007-0542 Screening compound: ethyl 2-{[(3-chloro-4-fluorophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-1,3-benzodiazole-5-carboxylate

V007-0542 Screening compound: ethyl 2-{[(3-chloro-4-fluorophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-1,3-benzodiazole-5-carboxylate
V007-0542 Screening compound: ethyl 2-{[(3-chloro-4-fluorophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-0542
ethyl 2-{[(3-chloro-4-fluorophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-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

V007-0542

Molecular Formula

C26H24ClFN2O3S (C26 H24 ClFN2 O3 S)

Compound Name

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

IUPAC name

ethyl 2-{[(3-chloro-4-fluorophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(CCc(cc1)ccc1OC)c(SCc(cc1)cc(Cl)c1F)n2)=O

InChI

InChI=1S/C26H24ClFN2O3S/c1-3-33-25(31)19-7-11-24-23(15-19)29-26(34-16-18-6-10-22(28)21(27)14-18)30(24)13-12-17-4-8-20(32-2)9-5-17/h4-11,14-15H,3,12-13,16H2,1-2H3

InChI Key

JGVAFCKODRZPNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964274

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.087

Distribution Coefficient, logD

7.086

Water Solubility, LogSw

-6.47

Polar Surface Area

38.753

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V007-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-0542?
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What is the minimum amount of V007-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-0542
  • 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 V007-0542 available by request