Y031-1268 Screening compound: N-[4-(morpholine-4-sulfonyl)phenyl]-3-phenylmethanesulfonylpropanamide

Y031-1268 Screening compound: N-[4-(morpholine-4-sulfonyl)phenyl]-3-phenylmethanesulfonylpropanamide
Y031-1268 Screening compound: N-[4-(morpholine-4-sulfonyl)phenyl]-3-phenylmethanesulfonylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1268
N-[4-(morpholine-4-sulfonyl)phenyl]-3-phenylmethanesulfonylpropanamide

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

Y031-1268

Molecular Formula

C20H24N2O6S2 (C20 H24 N2 O6 S2)

Compound Name

N-[4-(morpholine-4-sulfonyl)phenyl]-3-phenylmethanesulfonylpropanamide

IUPAC name

N-[4-(morpholine-4-sulfonyl)phenyl]-3-phenylmethanesulfonylpropanamide

SMILES

O=C(CCS(Cc1ccccc1)(=O)=O)Nc(cc1)ccc1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C20H24N2O6S2/c23-20(10-15-29(24,25)16-17-4-2-1-3-5-17)21-18-6-8-19(9-7-18)30(26,27)22-11-13-28-14-12-22/h1-9H,10-16H2,(H,21,23)

InChI Key

SBWZMBMDSAICOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.960

Distribution Coefficient, logD

0.956

Water Solubility, LogSw

-2.26

Polar Surface Area

91.036

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

Y031-1268 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 Y031-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1268?
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What is the minimum amount of Y031-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1268
  • 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 Y031-1268 available by request