F431-0090 Screening compound: 2-chloro-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

F431-0090 Screening compound: 2-chloro-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide
F431-0090 Screening compound: 2-chloro-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0090
2-chloro-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

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

F431-0090

Molecular Formula

C22H24ClN3O2S (C22 H24 ClN3 O2 S)

Compound Name

2-chloro-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

IUPAC name

2-chloro-N-[6-(cyclohexylsulfanyl)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]benzamide

SMILES

CN(c(c(N1C)c2)cc(NC(c(cccc3)c3Cl)=O)c2SC2CCCCC2)C1=O

InChI

InChI=1S/C22H24ClN3O2S/c1-25-18-12-17(24-21(27)15-10-6-7-11-16(15)23)20(13-19(18)26(2)22(25)28)29-14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,24,27)

InChI Key

ZXGJOKZMFIOTAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.758

Distribution Coefficient, logD

5.746

Water Solubility, LogSw

-5.70

Polar Surface Area

40.237

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F431-0090 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F431-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0090?
Check Price and Availability of F431-0090, 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 F431-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0090
  • 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 F431-0090 available by request