Y031-3696 Screening compound: 2-(3-methylbutanesulfonyl)-N-(4-methylpyridin-2-yl)benzamide

Y031-3696 Screening compound: 2-(3-methylbutanesulfonyl)-N-(4-methylpyridin-2-yl)benzamide
Y031-3696 Screening compound: 2-(3-methylbutanesulfonyl)-N-(4-methylpyridin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3696
2-(3-methylbutanesulfonyl)-N-(4-methylpyridin-2-yl)benzamide

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

Y031-3696

Molecular Formula

C18H22N2O3S (C18 H22 N2 O3 S)

Compound Name

2-(3-methylbutanesulfonyl)-N-(4-methylpyridin-2-yl)benzamide

IUPAC name

2-(3-methylbutanesulfonyl)-N-(4-methylpyridin-2-yl)benzamide

SMILES

CC(C)CCS(c(cccc1)c1C(Nc1nccc(C)c1)=O)(=O)=O

InChI

InChI=1S/C18H22N2O3S/c1-13(2)9-11-24(22,23)16-7-5-4-6-15(16)18(21)20-17-12-14(3)8-10-19-17/h4-8,10,12-13H,9,11H2,1-3H3,(H,19,20,21)

InChI Key

XJTAFOQRJIJYHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09870442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.557

Distribution Coefficient, logD

3.524

Water Solubility, LogSw

-3.87

Polar Surface Area

61.981

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y031-3696 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-3696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3696?
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What is the minimum amount of Y031-3696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3696
  • 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 Y031-3696 available by request