J001-0938 Screening compound: 2,3-dimethyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide

J001-0938 Screening compound: 2,3-dimethyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide
J001-0938 Screening compound: 2,3-dimethyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J001-0938
2,3-dimethyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-(2,4,6-trimethylphenyl)benzene-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

J001-0938

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

2,3-dimethyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide

IUPAC name

23-dimethyl-5-(6-oxo-16-dihydropyridazin-3-yl)-N-(246-trimethylphenyl)benzene-1-sulfonamide

SMILES

Cc(cc1C)cc(C)c1NS(c1c(C)c(C)cc(C(C=C2)=NNC2=O)c1)(=O)=O

InChI

InChI=1S/C21H23N3O3S/c1-12-8-14(3)21(15(4)9-12)24-28(26,27)19-11-17(10-13(2)16(19)5)18-6-7-20(25)23-22-18/h6-11,24H,1-5H3,(H,23,25)

InChI Key

ZGBCEMYMQBPRMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.20

Polar Surface Area

76.630

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

J001-0938 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J001-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J001-0938?
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What is the minimum amount of J001-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J001-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J001-0938
  • 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 J001-0938 available by request