Y031-5009 Screening compound: N-(5-chloropyridin-2-yl)-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

Y031-5009 Screening compound: N-(5-chloropyridin-2-yl)-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
Y031-5009 Screening compound: N-(5-chloropyridin-2-yl)-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5009
N-(5-chloropyridin-2-yl)-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-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

Y031-5009

Molecular Formula

C22H27ClN4O4S (C22 H27 ClN4 O4 S)

Compound Name

N-(5-chloropyridin-2-yl)-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(5-chloropyridin-2-yl)-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

SMILES

CCCN(CCC)S(c(cc1)ccc1N(CC(C1)C(Nc(cc2)ncc2Cl)=O)C1=O)(=O)=O

InChI

InChI=1S/C22H27ClN4O4S/c1-3-11-26(12-4-2)32(30,31)19-8-6-18(7-9-19)27-15-16(13-21(27)28)22(29)25-20-10-5-17(23)14-24-20/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,24,25,29)/t16-/m0/s1

InChI Key

GDSINADPFMUPEU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09269167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-4.04

Polar Surface Area

81.388

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

Y031-5009 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y031-5009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5009?
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What is the minimum amount of Y031-5009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5009
  • 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 Y031-5009 available by request