C301-5658 Screening compound: N-[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-methoxybenzene-1-sulfonamide

C301-5658 Screening compound: N-[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-methoxybenzene-1-sulfonamide
C301-5658 Screening compound: N-[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5658
N-[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-methoxybenzene-1-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

C301-5658

Molecular Formula

C23H24N4O4S (C23 H24 N4 O4 S)

Compound Name

N-[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-methoxybenzene-1-sulfonamide

IUPAC name

N-[6-(benzylamino)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-4-methoxybenzene-1-sulfonamide

SMILES

CN(c(c(N1C)c2)cc(NCc3ccccc3)c2NS(c(cc2)ccc2OC)(=O)=O)C1=O

InChI

InChI=1S/C23H24N4O4S/c1-26-21-13-19(24-15-16-7-5-4-6-8-16)20(14-22(21)27(2)23(26)28)25-32(29,30)18-11-9-17(31-3)10-12-18/h4-14,24-25H,15H2,1-3H3

InChI Key

KBCMVZKQIWGJPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.169

Water Solubility, LogSw

-4.11

Polar Surface Area

74.955

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C301-5658 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-5658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5658?
Check Price and Availability of C301-5658, 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 C301-5658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5658
  • 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 C301-5658 available by request