D425-2409 Screening compound: benzyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate

D425-2409 Screening compound: benzyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate
D425-2409 Screening compound: benzyl 2-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-2409
benzyl 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

D425-2409

Molecular Formula

C23H19FN2O2S (C23 H19 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1F)OCc1ccccc1

InChI

InChI=1S/C23H19FN2O2S/c24-19-12-10-17(11-13-19)14-26-21-9-5-4-8-20(21)25-23(26)29-16-22(27)28-15-18-6-2-1-3-7-18/h1-13H,14-16H2

InChI Key

ICOWXBNTWFDXKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.705

Distribution Coefficient, logD

5.679

Water Solubility, LogSw

-5.77

Polar Surface Area

31.012

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D425-2409 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D425-2409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-2409?
Check Price and Availability of D425-2409, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D425-2409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-2409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-2409
  • 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 D425-2409 available by request