Y031-1249 Screening compound: 3-phenylmethanesulfonyl-N-(1,3,4-thiadiazol-2-yl)propanamide

Y031-1249 Screening compound: 3-phenylmethanesulfonyl-N-(1,3,4-thiadiazol-2-yl)propanamide
Y031-1249 Screening compound: 3-phenylmethanesulfonyl-N-(1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1249
3-phenylmethanesulfonyl-N-(1,3,4-thiadiazol-2-yl)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

Y031-1249

Molecular Formula

C12H13N3O3S2 (C12 H13 N3 O3 S2)

Compound Name

3-phenylmethanesulfonyl-N-(1,3,4-thiadiazol-2-yl)propanamide

IUPAC name

3-phenylmethanesulfonyl-N-(134-thiadiazol-2-yl)propanamide

SMILES

O=C(CCS(Cc1ccccc1)(=O)=O)Nc1nncs1

InChI

InChI=1S/C12H13N3O3S2/c16-11(14-12-15-13-9-19-12)6-7-20(17,18)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,15,16)

InChI Key

ZUAQRNOCUCDDBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.356

Distribution Coefficient, logD

0.323

Water Solubility, LogSw

-2.11

Polar Surface Area

74.992

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y031-1249 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Arginase Targeted Library (2009 compounds)

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

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y031-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1249?
Check Price and Availability of Y031-1249, 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 Y031-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1249
  • 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 Y031-1249 available by request