D425-2876 Screening compound: 4-chloro-3-methylphenyl 2-{[2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

D425-2876 Screening compound: 4-chloro-3-methylphenyl 2-{[2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate
D425-2876 Screening compound: 4-chloro-3-methylphenyl 2-{[2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-2876
4-chloro-3-methylphenyl 2-{[2-({1-[(3-methylphenyl)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

D425-2876

Molecular Formula

C26H23ClN2O4S (C26 H23 ClN2 O4 S)

Compound Name

4-chloro-3-methylphenyl 2-{[2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

IUPAC name

4-chloro-3-methylphenyl 2-{[2-({1-[(3-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

SMILES

Cc1cccc(Cn2c(SCC(OCC(Oc(cc3)cc(C)c3Cl)=O)=O)nc3c2cccc3)c1

InChI

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

InChI Key

YIFVJDQAJIDMSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828305

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

6.907

Distribution Coefficient, logD

6.880

Water Solubility, LogSw

-6.38

Polar Surface Area

51.066

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D425-2876 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D425-2876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-2876?
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What is the minimum amount of D425-2876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-2876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-2876
  • 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 D425-2876 available by request