F431-0638 Screening compound: N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-2-(2-methylphenoxy)acetamide

F431-0638 Screening compound: N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-2-(2-methylphenoxy)acetamide
F431-0638 Screening compound: N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-2-(2-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0638
N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-2-(2-methylphenoxy)acetamide

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

F431-0638

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-2-(2-methylphenoxy)acetamide

IUPAC name

N-{13-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl}-2-(2-methylphenoxy)acetamide

SMILES

Cc(cc1)ccc1Sc(cc(c(N1C)c2)N(C)C1=O)c2NC(COc1c(C)cccc1)=O

InChI

InChI=1S/C25H25N3O3S/c1-16-9-11-18(12-10-16)32-23-14-21-20(27(3)25(30)28(21)4)13-19(23)26-24(29)15-31-22-8-6-5-7-17(22)2/h5-14H,15H2,1-4H3,(H,26,29)

InChI Key

IAZQGGNMYGDALJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.619

Distribution Coefficient, logD

5.619

Water Solubility, LogSw

-5.37

Polar Surface Area

47.417

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F431-0638 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F431-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0638?
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What is the minimum amount of F431-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0638
  • 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 F431-0638 available by request