Y032-3122 Screening compound: (E)-N-(6-methyl-2-pyridyl)-3-(2-nitrophenyl)-2-propenamide

Y032-3122 Screening compound: (E)-N-(6-methyl-2-pyridyl)-3-(2-nitrophenyl)-2-propenamide
Y032-3122 Screening compound: (E)-N-(6-methyl-2-pyridyl)-3-(2-nitrophenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3122
(E)-N-(6-methyl-2-pyridyl)-3-(2-nitrophenyl)-2-propenamide

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

Y032-3122

Molecular Formula

C15H13N3O3 (C15 H13 N3 O3)

Compound Name

(E)-N-(6-methyl-2-pyridyl)-3-(2-nitrophenyl)-2-propenamide

IUPAC name

(2E)-N-(6-methylpyridin-2-yl)-3-(2-nitrophenyl)prop-2-enamide

SMILES

Cc1cccc(NC(/C=C/c(cccc2)c2[N+]([O-])=O)=O)n1

InChI

InChI=1S/C15H13N3O3/c1-11-5-4-8-14(16-11)17-15(19)10-9-12-6-2-3-7-13(12)18(20)21/h2-10H,1H3,(H,16,17,19)

InChI Key

NEMVOOWTVHXHNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-3.56

Polar Surface Area

65.186

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

Y032-3122 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y032-3122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3122?
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What is the minimum amount of Y032-3122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3122
  • 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 Y032-3122 available by request