Y031-5017 Screening compound: 1-[4-(dipropylsulfamoyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

Y031-5017 Screening compound: 1-[4-(dipropylsulfamoyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
Y031-5017 Screening compound: 1-[4-(dipropylsulfamoyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5017
1-[4-(dipropylsulfamoyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-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

Y031-5017

Molecular Formula

C21H28N4O5S (C21 H28 N4 O5 S)

Compound Name

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

IUPAC name

1-[4-(dipropylsulfamoyl)phenyl]-N-(5-methyl-12-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

CCCN(CCC)S(c(cc1)ccc1N(CC(C1)C(Nc2noc(C)c2)=O)C1=O)(=O)=O

InChI

InChI=1S/C21H28N4O5S/c1-4-10-24(11-5-2)31(28,29)18-8-6-17(7-9-18)25-14-16(13-20(25)26)21(27)22-19-12-15(3)30-23-19/h6-9,12,16H,4-5,10-11,13-14H2,1-3H3,(H,22,23,27)/t16-/m1/s1

InChI Key

MMBFTNOUXMNPML-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD09269173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-3.33

Polar Surface Area

93.479

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

Y031-5017 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 Y031-5017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5017?
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What is the minimum amount of Y031-5017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5017
  • 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 Y031-5017 available by request