D425-2373 Screening compound: [(3,4-dimethylphenyl)carbamoyl]methyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate

D425-2373 Screening compound: [(3,4-dimethylphenyl)carbamoyl]methyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate
D425-2373 Screening compound: [(3,4-dimethylphenyl)carbamoyl]methyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-2373
[(3,4-dimethylphenyl)carbamoyl]methyl 2-({1-[(4-fluorophenyl)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

D425-2373

Molecular Formula

C26H24FN3O3S (C26 H24 FN3 O3 S)

Compound Name

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

IUPAC name

[(34-dimethylphenyl)carbamoyl]methyl 2-({1-[(4-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)acetate

SMILES

Cc(cc1)c(C)cc1NC(COC(CSc1nc(cccc2)c2n1Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C26H24FN3O3S/c1-17-7-12-21(13-18(17)2)28-24(31)15-33-25(32)16-34-26-29-22-5-3-4-6-23(22)30(26)14-19-8-10-20(27)11-9-19/h3-13H,14-16H2,1-2H3,(H,28,31)

InChI Key

PHYHDELMLCCWCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

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

6.144

Distribution Coefficient, logD

6.117

Water Solubility, LogSw

-5.38

Polar Surface Area

54.161

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with D425-2373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-2373?
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What is the minimum amount of D425-2373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-2373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-2373
  • 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 D425-2373 available by request