Y031-2457 Screening compound: 1-(4-methoxyphenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

Y031-2457 Screening compound: 1-(4-methoxyphenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide
Y031-2457 Screening compound: 1-(4-methoxyphenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2457
1-(4-methoxyphenyl)-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

Y031-2457

Molecular Formula

C23H23N5O5S (C23 H23 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccnc(NS(c(cc2)ccc2NC(C(CC2=O)CN2c(cc2)ccc2OC)=O)(=O)=O)n1

InChI

InChI=1S/C23H23N5O5S/c1-15-11-12-24-23(25-15)27-34(31,32)20-9-3-17(4-10-20)26-22(30)16-13-21(29)28(14-16)18-5-7-19(33-2)8-6-18/h3-12,16H,13-14H2,1-2H3,(H,26,30)(H,24,25,27)/t16-/m0/s1

InChI Key

VJDROSJVSCPEGJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD07133085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.536

Distribution Coefficient, logD

0.924

Water Solubility, LogSw

-2.78

Polar Surface Area

108.217

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

Y031-2457 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 Y031-2457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2457?
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What is the minimum amount of Y031-2457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2457
  • 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 Y031-2457 available by request