D425-2371 Screening compound: [(4-methoxyphenyl)carbamoyl]methyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate

D425-2371 Screening compound: [(4-methoxyphenyl)carbamoyl]methyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate
D425-2371 Screening compound: [(4-methoxyphenyl)carbamoyl]methyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-2371
[(4-methoxyphenyl)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

D425-2371

Molecular Formula

C25H22FN3O4S (C25 H22 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(COC(CSc1nc(cccc2)c2n1Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C25H22FN3O4S/c1-32-20-12-10-19(11-13-20)27-23(30)15-33-24(31)16-34-25-28-21-4-2-3-5-22(21)29(25)14-17-6-8-18(26)9-7-17/h2-13H,14-16H2,1H3,(H,27,30)

InChI Key

HDJDCTQEXQODII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.139

Distribution Coefficient, logD

5.112

Water Solubility, LogSw

-4.94

Polar Surface Area

61.705

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with D425-2371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-2371?
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What is the minimum amount of D425-2371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-2371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-2371
  • 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 D425-2371 available by request