F431-0041 Screening compound: 5-bromo-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methoxybenzamide

F431-0041 Screening compound: 5-bromo-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methoxybenzamide
F431-0041 Screening compound: 5-bromo-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0041
5-bromo-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methoxybenzamide

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

F431-0041

Molecular Formula

C23H20BrN3O3S (C23 H20 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(c(N1C)c2)cc(NC(c(cc(cc3)Br)c3OC)=O)c2Sc2ccccc2)C1=O

InChI

InChI=1S/C23H20BrN3O3S/c1-26-18-12-17(25-22(28)16-11-14(24)9-10-20(16)30-3)21(13-19(18)27(2)23(26)29)31-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,25,28)

InChI Key

IOFPLPWAOIWSPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.560

Distribution Coefficient, logD

5.554

Water Solubility, LogSw

-5.44

Polar Surface Area

47.675

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

F431-0041 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F431-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0041?
Check Price and Availability of F431-0041, 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 F431-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0041
  • 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 F431-0041 available by request