G801-0427 Screening compound: 1,3,6-trimethyl-N-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

G801-0427 Screening compound: 1,3,6-trimethyl-N-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
G801-0427 Screening compound: 1,3,6-trimethyl-N-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-0427
1,3,6-trimethyl-N-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

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

G801-0427

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

1,3,6-trimethyl-N-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

136-trimethyl-N-[(4-methylphenyl)methyl]-2-oxo-23-dihydro-1H-13-benzodiazole-5-sulfonamide

SMILES

Cc1ccc(CNS(c(cc2N3C)c(C)cc2N(C)C3=O)(=O)=O)cc1

InChI

InChI=1S/C18H21N3O3S/c1-12-5-7-14(8-6-12)11-19-25(23,24)17-10-16-15(9-13(17)2)20(3)18(22)21(16)4/h5-10,19H,11H2,1-4H3

InChI Key

JAAKLXCPOHRXOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.108

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.39

Polar Surface Area

59.681

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G801-0427 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G801-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-0427?
Check Price and Availability of G801-0427, 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 G801-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-0427
  • 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 G801-0427 available by request