F431-0002 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

F431-0002 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide
F431-0002 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0002
N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-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

F431-0002

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(c(N1C)c2)cc(NC(c3ccccc3)=O)c2Sc2ccccc2)C1=O

InChI

InChI=1S/C22H19N3O2S/c1-24-18-13-17(23-21(26)15-9-5-3-6-10-15)20(14-19(18)25(2)22(24)27)28-16-11-7-4-8-12-16/h3-14H,1-2H3,(H,23,26)

InChI Key

XKDODFQEGMDWSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

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

4.595

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-4.34

Polar Surface Area

40.045

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with F431-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0002?
Check Price and Availability of F431-0002, 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 F431-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0002
  • 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 F431-0002 available by request