F431-0637 Screening compound: N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4,5-trimethoxybenzamide

F431-0637 Screening compound: N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4,5-trimethoxybenzamide
F431-0637 Screening compound: N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0637
N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4,5-trimethoxybenzamide

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

F431-0637

Molecular Formula

C26H27N3O5S (C26 H27 N3 O5 S)

Compound Name

N-{1,3-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4,5-trimethoxybenzamide

IUPAC name

N-{13-dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl}-345-trimethoxybenzamide

SMILES

Cc(cc1)ccc1Sc(cc(c(N1C)c2)N(C)C1=O)c2NC(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C26H27N3O5S/c1-15-7-9-17(10-8-15)35-23-14-20-19(28(2)26(31)29(20)3)13-18(23)27-25(30)16-11-21(32-4)24(34-6)22(12-16)33-5/h7-14H,1-6H3,(H,27,30)

InChI Key

GROBXJMZMPLSOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.089

Distribution Coefficient, logD

5.089

Water Solubility, LogSw

-4.87

Polar Surface Area

63.023

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F431-0637 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with F431-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0637?
Check Price and Availability of F431-0637, 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 F431-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0637
  • 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 F431-0637 available by request