Y031-3632 Screening compound: 1-(4-ethoxyphenyl)-5-oxo-N-[4-(piperidine-1-sulfonyl)phenyl]pyrrolidine-3-carboxamide

Y031-3632 Screening compound: 1-(4-ethoxyphenyl)-5-oxo-N-[4-(piperidine-1-sulfonyl)phenyl]pyrrolidine-3-carboxamide
Y031-3632 Screening compound: 1-(4-ethoxyphenyl)-5-oxo-N-[4-(piperidine-1-sulfonyl)phenyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3632
1-(4-ethoxyphenyl)-5-oxo-N-[4-(piperidine-1-sulfonyl)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

Y031-3632

Molecular Formula

C24H29N3O5S (C24 H29 N3 O5 S)

Compound Name

1-(4-ethoxyphenyl)-5-oxo-N-[4-(piperidine-1-sulfonyl)phenyl]pyrrolidine-3-carboxamide

IUPAC name

1-(4-ethoxyphenyl)-5-oxo-N-[4-(piperidine-1-sulfonyl)phenyl]pyrrolidine-3-carboxamide

SMILES

CCOc(cc1)ccc1N(CC(C1)C(Nc(cc2)ccc2S(N2CCCCC2)(=O)=O)=O)C1=O

InChI

InChI=1S/C24H29N3O5S/c1-2-32-21-10-8-20(9-11-21)27-17-18(16-23(27)28)24(29)25-19-6-12-22(13-7-19)33(30,31)26-14-4-3-5-15-26/h6-13,18H,2-5,14-17H2,1H3,(H,25,29)/t18-/m0/s1

InChI Key

IJABYCOZWQGHDZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07397939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-3.30

Polar Surface Area

78.914

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

Y031-3632 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-3632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3632?
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What is the minimum amount of Y031-3632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3632
  • 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 Y031-3632 available by request