D425-2552 Screening compound: [(2,4-dimethylphenyl)carbamoyl]methyl 2-({1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate

D425-2552 Screening compound: [(2,4-dimethylphenyl)carbamoyl]methyl 2-({1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate
D425-2552 Screening compound: [(2,4-dimethylphenyl)carbamoyl]methyl 2-({1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-2552
[(2,4-dimethylphenyl)carbamoyl]methyl 2-({1-[(2-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

D425-2552

Molecular Formula

C27H27N3O3S (C27 H27 N3 O3 S)

Compound Name

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

IUPAC name

[(24-dimethylphenyl)carbamoyl]methyl 2-({1-[(2-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)acetate

SMILES

Cc(cc1)cc(C)c1NC(COC(CSc1nc(cccc2)c2n1Cc1c(C)cccc1)=O)=O

InChI

InChI=1S/C27H27N3O3S/c1-18-12-13-22(20(3)14-18)28-25(31)16-33-26(32)17-34-27-29-23-10-6-7-11-24(23)30(27)15-21-9-5-4-8-19(21)2/h4-14H,15-17H2,1-3H3,(H,28,31)

InChI Key

HNOWJVHFJNDPQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.6

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

6.366

Distribution Coefficient, logD

6.235

Water Solubility, LogSw

-5.39

Polar Surface Area

53.463

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D425-2552 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D425-2552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-2552?
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What is the minimum amount of D425-2552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-2552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-2552
  • 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 D425-2552 available by request