Y032-1249 Screening compound: (E)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-3-(3-nitrophenyl)-2-propenamide

Y032-1249 Screening compound: (E)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-3-(3-nitrophenyl)-2-propenamide
Y032-1249 Screening compound: (E)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-3-(3-nitrophenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-1249
(E)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-3-(3-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

Y032-1249

Molecular Formula

C20H17N5O5S (C20 H17 N5 O5 S)

Compound Name

(E)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-3-(3-nitrophenyl)-2-propenamide

IUPAC name

(2E)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-(3-nitrophenyl)prop-2-enamide

SMILES

Cc1ccnc(NS(c(cc2)ccc2NC(/C=C/c2cc([N+]([O-])=O)ccc2)=O)(=O)=O)n1

InChI

InChI=1S/C20H17N5O5S/c1-14-11-12-21-20(22-14)24-31(29,30)18-8-6-16(7-9-18)23-19(26)10-5-15-3-2-4-17(13-15)25(27)28/h2-13H,1H3,(H,23,26)(H,21,22,24)

InChI Key

KWPZWTYFPWXERH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00583338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

2.297

Water Solubility, LogSw

-3.55

Polar Surface Area

117.091

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

Y032-1249 in Drug Discovery

Included in Screening Libraries

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 Y032-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-1249?
Check Price and Availability of Y032-1249, 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 Y032-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-1249
  • 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 Y032-1249 available by request