Y031-4085 Screening compound: 1-cyclopentyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

Y031-4085 Screening compound: 1-cyclopentyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide
Y031-4085 Screening compound: 1-cyclopentyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4085
1-cyclopentyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]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

Y031-4085

Molecular Formula

C21H25N5O4S (C21 H25 N5 O4 S)

Compound Name

1-cyclopentyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-cyclopentyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1ccnc(NS(c(cc2)ccc2NC(C(C2)CN(C3CCCC3)C2=O)=O)(=O)=O)n1

InChI

InChI=1S/C21H25N5O4S/c1-14-10-11-22-21(23-14)25-31(29,30)18-8-6-16(7-9-18)24-20(28)15-12-19(27)26(13-15)17-4-2-3-5-17/h6-11,15,17H,2-5,12-13H2,1H3,(H,24,28)(H,22,23,25)/t15-/m0/s1

InChI Key

CQDZOIGKEZGJDS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08090959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

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

1.227

Distribution Coefficient, logD

0.615

Water Solubility, LogSw

-2.63

Polar Surface Area

100.872

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

Y031-4085 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-4085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4085?
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What is the minimum amount of Y031-4085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4085
  • 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 Y031-4085 available by request