Y031-3957 Screening compound: N-[4-(tert-butylsulfamoyl)phenyl]-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Y031-3957 Screening compound: N-[4-(tert-butylsulfamoyl)phenyl]-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Y031-3957 Screening compound: N-[4-(tert-butylsulfamoyl)phenyl]-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3957
N-[4-(tert-butylsulfamoyl)phenyl]-1-(3-chloro-4-methylphenyl)-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

Y031-3957

Molecular Formula

C22H26ClN3O4S (C22 H26 ClN3 O4 S)

Compound Name

N-[4-(tert-butylsulfamoyl)phenyl]-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-[4-(tert-butylsulfamoyl)phenyl]-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CC(C)(C)NS(c(cc1)ccc1NC(C(CC1=O)CN1c1cc(Cl)c(C)cc1)=O)(=O)=O

InChI

InChI=1S/C22H26ClN3O4S/c1-14-5-8-17(12-19(14)23)26-13-15(11-20(26)27)21(28)24-16-6-9-18(10-7-16)31(29,30)25-22(2,3)4/h5-10,12,15,25H,11,13H2,1-4H3,(H,24,28)/t15-/m1/s1

InChI Key

WNSGEAGJTWQNDF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD07400921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.75

Polar Surface Area

81.147

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

Y031-3957 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-3957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3957?
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What is the minimum amount of Y031-3957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3957
  • 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 Y031-3957 available by request