F431-0459 Screening compound: N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-chlorobenzamide

F431-0459 Screening compound: N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-chlorobenzamide
F431-0459 Screening compound: N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0459
N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-chlorobenzamide

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

F431-0459

Molecular Formula

C20H22ClN3O2S (C20 H22 ClN3 O2 S)

Compound Name

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

IUPAC name

N-[6-(butylsulfanyl)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-3-chlorobenzamide

SMILES

CCCCSc(cc(c(N1C)c2)N(C)C1=O)c2NC(c1cccc(Cl)c1)=O

InChI

InChI=1S/C20H22ClN3O2S/c1-4-5-9-27-18-12-17-16(23(2)20(26)24(17)3)11-15(18)22-19(25)13-7-6-8-14(21)10-13/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,25)

InChI Key

QEQBCCWDRAKORZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.93

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

5.476

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.77

Polar Surface Area

40.316

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F431-0459 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F431-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0459?
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What is the minimum amount of F431-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0459
  • 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 F431-0459 available by request