D425-2814 Screening compound: [(2-chloro-4-methylphenyl)carbamoyl]methyl 2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate

D425-2814 Screening compound: [(2-chloro-4-methylphenyl)carbamoyl]methyl 2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate
D425-2814 Screening compound: [(2-chloro-4-methylphenyl)carbamoyl]methyl 2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-2814
[(2-chloro-4-methylphenyl)carbamoyl]methyl 2-({1-[(3-methylphenyl)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

D425-2814

Molecular Formula

C26H24ClN3O3S (C26 H24 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(Cn2c(SCC(OCC(Nc(ccc(C)c3)c3Cl)=O)=O)nc3c2cccc3)c1

InChI

InChI=1S/C26H24ClN3O3S/c1-17-6-5-7-19(12-17)14-30-23-9-4-3-8-22(23)29-26(30)34-16-25(32)33-15-24(31)28-21-11-10-18(2)13-20(21)27/h3-13H,14-16H2,1-2H3,(H,28,31)

InChI Key

PRJSMQNFLLOZTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.01

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

6.498

Distribution Coefficient, logD

6.471

Water Solubility, LogSw

-6.16

Polar Surface Area

53.463

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D425-2814 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D425-2814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-2814?
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What is the minimum amount of D425-2814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-2814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-2814
  • 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 D425-2814 available by request