D425-0526 Screening compound: 2-chlorophenyl 2-({2-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetyl}oxy)acetate

D425-0526 Screening compound: 2-chlorophenyl 2-({2-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetyl}oxy)acetate
D425-0526 Screening compound: 2-chlorophenyl 2-({2-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetyl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-0526
2-chlorophenyl 2-({2-[(1-benzyl-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

D425-0526

Molecular Formula

C24H19ClN2O4S (C24 H19 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(COC(CSc1nc(cccc2)c2n1Cc1ccccc1)=O)Oc(cccc1)c1Cl

InChI

InChI=1S/C24H19ClN2O4S/c25-18-10-4-7-13-21(18)31-22(28)15-30-23(29)16-32-24-26-19-11-5-6-12-20(19)27(24)14-17-8-2-1-3-9-17/h1-13H,14-16H2

InChI Key

AKSVMOPQZFLUBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.94

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

5.389

Distribution Coefficient, logD

5.362

Water Solubility, LogSw

-5.88

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

12.50

D425-0526 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D425-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-0526?
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What is the minimum amount of D425-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-0526
  • 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 D425-0526 available by request