F431-0473 Screening compound: N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]propanamide

F431-0473 Screening compound: N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]propanamide
F431-0473 Screening compound: N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0473
N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]propanamide

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

F431-0473

Molecular Formula

C16H23N3O2S (C16 H23 N3 O2 S)

Compound Name

N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]propanamide

IUPAC name

N-[6-(butylsulfanyl)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]propanamide

SMILES

CCCCSc(cc(c(N1C)c2)N(C)C1=O)c2NC(CC)=O

InChI

InChI=1S/C16H23N3O2S/c1-5-7-8-22-14-10-13-12(18(3)16(21)19(13)4)9-11(14)17-15(20)6-2/h9-10H,5-8H2,1-4H3,(H,17,20)

InChI Key

VRJMRAZHLJJNRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643681

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.493

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.87

Polar Surface Area

40.375

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F431-0473 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F431-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0473?
Check Price and Availability of F431-0473, 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 F431-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0473
  • 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 F431-0473 available by request