Y031-4847 Screening compound: 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

Y031-4847 Screening compound: 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
Y031-4847 Screening compound: 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4847
1-(3,4-dimethylphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-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

Y031-4847

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

1-(3,4-dimethylphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

IUPAC name

1-(34-dimethylphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

SMILES

CCCNS(c(cc1)ccc1NC(C(CC1=O)CN1c1cc(C)c(C)cc1)=O)(=O)=O

InChI

InChI=1S/C22H27N3O4S/c1-4-11-23-30(28,29)20-9-6-18(7-10-20)24-22(27)17-13-21(26)25(14-17)19-8-5-15(2)16(3)12-19/h5-10,12,17,23H,4,11,13-14H2,1-3H3,(H,24,27)/t17-/m0/s1

InChI Key

AQJCTRTWXJMJNG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD07401322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.73

Polar Surface Area

81.951

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with Y031-4847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4847?
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What is the minimum amount of Y031-4847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4847
  • 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 Y031-4847 available by request