Y032-3160 Screening compound: (E)-N-(4-chlorobenzyl)-3-(2-nitrophenyl)-2-propenamide

Y032-3160 Screening compound: (E)-N-(4-chlorobenzyl)-3-(2-nitrophenyl)-2-propenamide
Y032-3160 Screening compound: (E)-N-(4-chlorobenzyl)-3-(2-nitrophenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3160
(E)-N-(4-chlorobenzyl)-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

Y032-3160

Molecular Formula

C16H13ClN2O3 (C16 H13 ClN2 O3)

Compound Name

(E)-N-(4-chlorobenzyl)-3-(2-nitrophenyl)-2-propenamide

IUPAC name

(2E)-N-[(4-chlorophenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide

SMILES

[O-][N+](c1c(/C=C/C(NCc(cc2)ccc2Cl)=O)cccc1)=O

InChI

InChI=1S/C16H13ClN2O3/c17-14-8-5-12(6-9-14)11-18-16(20)10-7-13-3-1-2-4-15(13)19(21)22/h1-10H,11H2,(H,18,20)

InChI Key

TZRYYISWWRHTPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03639054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.691

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-4.30

Polar Surface Area

57.519

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

Y032-3160 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 Y032-3160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3160?
Check Price and Availability of Y032-3160, 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 Y032-3160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3160
  • 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 Y032-3160 available by request