D425-2394 Screening compound: 2-phenoxyethyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate

D425-2394 Screening compound: 2-phenoxyethyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate
D425-2394 Screening compound: 2-phenoxyethyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-2394
2-phenoxyethyl 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

D425-2394

Molecular Formula

C24H21FN2O3S (C24 H21 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1F)OCCOc1ccccc1

InChI

InChI=1S/C24H21FN2O3S/c25-19-12-10-18(11-13-19)16-27-22-9-5-4-8-21(22)26-24(27)31-17-23(28)30-15-14-29-20-6-2-1-3-7-20/h1-13H,14-17H2

InChI Key

XJVZSJFJRIZPJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-5.48

Polar Surface Area

38.348

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D425-2394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-2394?
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What is the minimum amount of D425-2394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-2394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-2394
  • 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 D425-2394 available by request