C301-6010 Screening compound: N-[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-fluorobenzene-1-sulfonamide

C301-6010 Screening compound: N-[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-fluorobenzene-1-sulfonamide
C301-6010 Screening compound: N-[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6010
N-[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-fluorobenzene-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

C301-6010

Molecular Formula

C22H21FN4O3S (C22 H21 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(c(N1C)c2)cc(NCc3ccccc3)c2NS(c(cc2)ccc2F)(=O)=O)C1=O

InChI

InChI=1S/C22H21FN4O3S/c1-26-20-12-18(24-14-15-6-4-3-5-7-15)19(13-21(20)27(2)22(26)28)25-31(29,30)17-10-8-16(23)9-11-17/h3-13,24-25H,14H2,1-2H3

InChI Key

DCPRGNCCVPDJHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-3.99

Polar Surface Area

67.412

Acid Dissociation Constant (pKa)

5.36

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C301-6010 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 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 C301-6010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6010?
Check Price and Availability of C301-6010, 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 C301-6010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6010
  • 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 C301-6010 available by request