Y031-4761 Screening compound: 1-(4-chlorophenyl)-5-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}pyrrolidine-3-carboxamide

Y031-4761 Screening compound: 1-(4-chlorophenyl)-5-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}pyrrolidine-3-carboxamide
Y031-4761 Screening compound: 1-(4-chlorophenyl)-5-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4761
1-(4-chlorophenyl)-5-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}pyrrolidine-3-carboxamide

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

Y031-4761

Molecular Formula

C21H18ClN5O4S (C21 H18 ClN5 O4 S)

Compound Name

1-(4-chlorophenyl)-5-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}pyrrolidine-3-carboxamide

IUPAC name

1-(4-chlorophenyl)-5-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}pyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c(cc1)ccc1Cl)Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O

InChI

InChI=1S/C21H18ClN5O4S/c22-15-2-6-17(7-3-15)27-13-14(12-19(27)28)20(29)25-16-4-8-18(9-5-16)32(30,31)26-21-23-10-1-11-24-21/h1-11,14H,12-13H2,(H,25,29)(H,23,24,26)/t14-/m1/s1

InChI Key

JYWWTKASMKEKJX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD07401261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.92

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.558

Distribution Coefficient, logD

0.802

Water Solubility, LogSw

-2.85

Polar Surface Area

101.299

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

Y031-4761 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-4761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4761?
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What is the minimum amount of Y031-4761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4761
  • 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 Y031-4761 available by request