F431-0618 Screening compound: N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide

F431-0618 Screening compound: N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide
F431-0618 Screening compound: N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0618
N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide

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

F431-0618

Molecular Formula

C21H25N3O2S (C21 H25 N3 O2 S)

Compound Name

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

IUPAC name

N-{13-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl}-3-methylbutanamide

SMILES

CC(C)CC(Nc(cc(c(N1C)c2)N(C)C1=O)c2Sc1ccc(C)cc1)=O

InChI

InChI=1S/C21H25N3O2S/c1-13(2)10-20(25)22-16-11-17-18(24(5)21(26)23(17)4)12-19(16)27-15-8-6-14(3)7-9-15/h6-9,11-13H,10H2,1-5H3,(H,22,25)

InChI Key

IOIREMDMRDRHSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.52

Polar Surface Area

40.103

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F431-0618 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F431-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0618?
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What is the minimum amount of F431-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0618
  • 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 F431-0618 available by request