Y032-2871 Screening compound: (E)-N-{5-[(diethylamino)sulfonyl]-2-methoxyphenyl}-3-(4-nitrophenyl)-2-propenamide

Y032-2871 Screening compound: (E)-N-{5-[(diethylamino)sulfonyl]-2-methoxyphenyl}-3-(4-nitrophenyl)-2-propenamide
Y032-2871 Screening compound: (E)-N-{5-[(diethylamino)sulfonyl]-2-methoxyphenyl}-3-(4-nitrophenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-2871
(E)-N-{5-[(diethylamino)sulfonyl]-2-methoxyphenyl}-3-(4-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

Y032-2871

Molecular Formula

C20H23N3O6S (C20 H23 N3 O6 S)

Compound Name

(E)-N-{5-[(diethylamino)sulfonyl]-2-methoxyphenyl}-3-(4-nitrophenyl)-2-propenamide

IUPAC name

(2E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide

SMILES

CCN(CC)S(c(cc1)cc(NC(/C=C/c(cc2)ccc2[N+]([O-])=O)=O)c1OC)(=O)=O

InChI

InChI=1S/C20H23N3O6S/c1-4-22(5-2)30(27,28)17-11-12-19(29-3)18(14-17)21-20(24)13-8-15-6-9-16(10-7-15)23(25)26/h6-14H,4-5H2,1-3H3,(H,21,24)

InChI Key

RVUMNMMWTZOIRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03638218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.575

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-3.92

Polar Surface Area

94.527

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y032-2871 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y032-2871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-2871?
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What is the minimum amount of Y032-2871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-2871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-2871
  • 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 Y032-2871 available by request