V006-9290 Screening compound: ethyl 2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-1,3-benzodiazole-5-carboxylate

V006-9290 Screening compound: ethyl 2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-1,3-benzodiazole-5-carboxylate
V006-9290 Screening compound: ethyl 2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9290
ethyl 2-{[(2-chloro-3,6-difluorophenyl)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

V006-9290

Molecular Formula

C26H23ClF2N2O3S (C26 H23 ClF2 N2 O3 S)

Compound Name

ethyl 2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 2-{[(2-chloro-36-difluorophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-13-benzodiazole-5-carboxylate

SMILES

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

InChI

InChI=1S/C26H23ClF2N2O3S/c1-3-34-25(32)17-6-11-23-22(14-17)30-26(35-15-19-20(28)9-10-21(29)24(19)27)31(23)13-12-16-4-7-18(33-2)8-5-16/h4-11,14H,3,12-13,15H2,1-2H3

InChI Key

ZFSNQUWAOBJJNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964159

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517

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

7.560

Distribution Coefficient, logD

7.559

Water Solubility, LogSw

-6.60

Polar Surface Area

38.753

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V006-9290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9290?
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What is the minimum amount of V006-9290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9290
  • 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 V006-9290 available by request