D425-2001 Screening compound: (phenylcarbamoyl)methyl 2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate

D425-2001 Screening compound: (phenylcarbamoyl)methyl 2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate
D425-2001 Screening compound: (phenylcarbamoyl)methyl 2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-2001
(phenylcarbamoyl)methyl 2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)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

D425-2001

Molecular Formula

C24H20ClN3O3S (C24 H20 ClN3 O3 S)

Compound Name

(phenylcarbamoyl)methyl 2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate

IUPAC name

(phenylcarbamoyl)methyl 2-({1-[(4-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)acetate

SMILES

O=C(COC(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)=O)Nc1ccccc1

InChI

InChI=1S/C24H20ClN3O3S/c25-18-12-10-17(11-13-18)14-28-21-9-5-4-8-20(21)27-24(28)32-16-23(30)31-15-22(29)26-19-6-2-1-3-7-19/h1-13H,14-16H2,(H,26,29)

InChI Key

ARUOFJUTCBQRRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.530

Distribution Coefficient, logD

5.504

Water Solubility, LogSw

-6.00

Polar Surface Area

54.161

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with D425-2001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-2001?
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What is the minimum amount of D425-2001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-2001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-2001
  • 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 D425-2001 available by request