4268-0295 Screening compound: 4-({[(1Z)-2-oxocyclohexylidene]methyl}amino)-N-(pyrimidin-2-yl)benzene-1-sulfonamide

4268-0295 Screening compound: 4-({[(1Z)-2-oxocyclohexylidene]methyl}amino)-N-(pyrimidin-2-yl)benzene-1-sulfonamide
4268-0295 Screening compound: 4-({[(1Z)-2-oxocyclohexylidene]methyl}amino)-N-(pyrimidin-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4268-0295
4-({[(1Z)-2-oxocyclohexylidene]methyl}amino)-N-(pyrimidin-2-yl)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

4268-0295

Molecular Formula

C17H18N4O3S (C17 H18 N4 O3 S)

Compound Name

4-({[(1Z)-2-oxocyclohexylidene]methyl}amino)-N-(pyrimidin-2-yl)benzene-1-sulfonamide

IUPAC name

4-({[(1Z)-2-oxocyclohexylidene]methyl}amino)-N-(pyrimidin-2-yl)benzene-1-sulfonamide

SMILES

O=C(CCCC1)/C1=C\Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O

InChI

InChI=1S/C17H18N4O3S/c22-16-5-2-1-4-13(16)12-20-14-6-8-15(9-7-14)25(23,24)21-17-18-10-3-11-19-17/h3,6-12,20H,1-2,4-5H2,(H,18,19,21)

InChI Key

UZLRUAWYBPPWPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.470

Distribution Coefficient, logD

0.714

Water Solubility, LogSw

-2.82

Polar Surface Area

86.227

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4268-0295 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4268-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4268-0295?
Check Price and Availability of 4268-0295, 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 4268-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4268-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4268-0295
  • 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 4268-0295 available by request