D425-0437 Screening compound: (4-methylphenyl)methyl 2-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate

D425-0437 Screening compound: (4-methylphenyl)methyl 2-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate
D425-0437 Screening compound: (4-methylphenyl)methyl 2-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-0437
(4-methylphenyl)methyl 2-[(1-benzyl-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

D425-0437

Molecular Formula

C24H22N2O2S (C24 H22 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(COC(CSc2nc(cccc3)c3n2Cc2ccccc2)=O)cc1

InChI

InChI=1S/C24H22N2O2S/c1-18-11-13-20(14-12-18)16-28-23(27)17-29-24-25-21-9-5-6-10-22(21)26(24)15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3

InChI Key

XDVXUGILPCNNJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

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

6.100

Distribution Coefficient, logD

6.073

Water Solubility, LogSw

-5.49

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

16.70

D425-0437 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 D425-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-0437?
Check Price and Availability of D425-0437, 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 D425-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-0437
  • 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 D425-0437 available by request