Y032-4022 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide

Y032-4022 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
Y032-4022 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4022
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide

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

Y032-4022

Molecular Formula

C27H23Cl2N3O3 (C27 H23 Cl2 N3 O3)

Compound Name

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc(c(NC(C(CC1=O)CN1c(cc1)ccc1OC)=O)c1)cc(C(c(cc2)ccc2Cl)C#N)c1Cl

InChI

InChI=1S/C27H23Cl2N3O3/c1-16-11-22(23(14-30)17-3-5-19(28)6-4-17)24(29)13-25(16)31-27(34)18-12-26(33)32(15-18)20-7-9-21(35-2)10-8-20/h3-11,13,18,23H,12,15H2,1-2H3,(H,31,34)

InChI Key

OAESAJHCAMZQDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07133153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.161

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-5.82

Polar Surface Area

63.710

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with Y032-4022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4022?
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What is the minimum amount of Y032-4022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4022
  • 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 Y032-4022 available by request