F431-0235 Screening compound: N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]butanamide

F431-0235 Screening compound: N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]butanamide
F431-0235 Screening compound: N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0235
N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]butanamide

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

F431-0235

Molecular Formula

C16H23N3O2S (C16 H23 N3 O2 S)

Compound Name

N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]butanamide

IUPAC name

N-[13-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-23-dihydro-1H-13-benzodiazol-5-yl]butanamide

SMILES

CCCC(Nc(cc(c(N1C)c2)N(C)C1=O)c2SC(C)C)=O

InChI

InChI=1S/C16H23N3O2S/c1-6-7-15(20)17-11-8-12-13(9-14(11)22-10(2)3)19(5)16(21)18(12)4/h8-10H,6-7H2,1-5H3,(H,17,20)

InChI Key

JNPFTWUUIJNXFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.44

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

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.64

Polar Surface Area

40.375

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F431-0235 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F431-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0235?
Check Price and Availability of F431-0235, 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 F431-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0235
  • 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 F431-0235 available by request