Y031-1267 Screening compound: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-phenylmethanesulfonylpropanamide

Y031-1267 Screening compound: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-phenylmethanesulfonylpropanamide
Y031-1267 Screening compound: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-phenylmethanesulfonylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1267
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-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

Y031-1267

Molecular Formula

C21H28N2O6S2 (C21 H28 N2 O6 S2)

Compound Name

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-phenylmethanesulfonylpropanamide

IUPAC name

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-phenylmethanesulfonylpropanamide

SMILES

CCN(CC)S(c(cc1)cc(NC(CCS(Cc2ccccc2)(=O)=O)=O)c1OC)(=O)=O

InChI

InChI=1S/C21H28N2O6S2/c1-4-23(5-2)31(27,28)18-11-12-20(29-3)19(15-18)22-21(24)13-14-30(25,26)16-17-9-7-6-8-10-17/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,22,24)

InChI Key

JNELKRYOLDODDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

1.478

Water Solubility, LogSw

-2.48

Polar Surface Area

89.446

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

Y031-1267 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with Y031-1267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1267?
Check Price and Availability of Y031-1267, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y031-1267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1267
  • 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 Y031-1267 available by request