Y031-1284 Screening compound: 3-phenylmethanesulfonyl-N-[4-(piperidine-1-sulfonyl)phenyl]propanamide

Y031-1284 Screening compound: 3-phenylmethanesulfonyl-N-[4-(piperidine-1-sulfonyl)phenyl]propanamide
Y031-1284 Screening compound: 3-phenylmethanesulfonyl-N-[4-(piperidine-1-sulfonyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1284
3-phenylmethanesulfonyl-N-[4-(piperidine-1-sulfonyl)phenyl]propanamide

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

Y031-1284

Molecular Formula

C21H26N2O5S2 (C21 H26 N2 O5 S2)

Compound Name

3-phenylmethanesulfonyl-N-[4-(piperidine-1-sulfonyl)phenyl]propanamide

IUPAC name

3-phenylmethanesulfonyl-N-[4-(piperidine-1-sulfonyl)phenyl]propanamide

SMILES

O=C(CCS(Cc1ccccc1)(=O)=O)Nc(cc1)ccc1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C21H26N2O5S2/c24-21(13-16-29(25,26)17-18-7-3-1-4-8-18)22-19-9-11-20(12-10-19)30(27,28)23-14-5-2-6-15-23/h1,3-4,7-12H,2,5-6,13-17H2,(H,22,24)

InChI Key

VFHRZDZCXZWTGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.950

Distribution Coefficient, logD

1.946

Water Solubility, LogSw

-2.58

Polar Surface Area

83.127

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

Y031-1284 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 Y031-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1284?
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What is the minimum amount of Y031-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1284
  • 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 Y031-1284 available by request