D425-1967 Screening compound: 2,3-dimethylphenyl 2-{[2-({1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

D425-1967 Screening compound: 2,3-dimethylphenyl 2-{[2-({1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate
D425-1967 Screening compound: 2,3-dimethylphenyl 2-{[2-({1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-1967
2,3-dimethylphenyl 2-{[2-({1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

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

D425-1967

Molecular Formula

C26H23ClN2O4S (C26 H23 ClN2 O4 S)

Compound Name

2,3-dimethylphenyl 2-{[2-({1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

IUPAC name

23-dimethylphenyl 2-{[2-({1-[(2-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

SMILES

Cc1cccc(OC(COC(CSc2nc(cccc3)c3n2Cc(cccc2)c2Cl)=O)=O)c1C

InChI

InChI=1S/C26H23ClN2O4S/c1-17-8-7-13-23(18(17)2)33-24(30)15-32-25(31)16-34-26-28-21-11-5-6-12-22(21)29(26)14-19-9-3-4-10-20(19)27/h3-13H,14-16H2,1-2H3

InChI Key

VCAAAUOQSNYBRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.420

Distribution Coefficient, logD

6.394

Water Solubility, LogSw

-6.11

Polar Surface Area

51.153

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with D425-1967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-1967?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-1967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-1967
  • 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 D425-1967 available by request