Y031-1300 Screening compound: N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylmethanesulfonylpropanamide

Y031-1300 Screening compound: N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylmethanesulfonylpropanamide
Y031-1300 Screening compound: N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylmethanesulfonylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1300
N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-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

Y031-1300

Molecular Formula

C15H19N3O4S3 (C15 H19 N3 O4 S3)

Compound Name

N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylmethanesulfonylpropanamide

IUPAC name

N-{5-[(2-methoxyethyl)sulfanyl]-134-thiadiazol-2-yl}-3-phenylmethanesulfonylpropanamide

SMILES

COCCSc1nnc(NC(CCS(Cc2ccccc2)(=O)=O)=O)s1

InChI

InChI=1S/C15H19N3O4S3/c1-22-8-9-23-15-18-17-14(24-15)16-13(19)7-10-25(20,21)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,17,19)

InChI Key

ANASBTODQABXGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.380

Distribution Coefficient, logD

1.363

Water Solubility, LogSw

-2.21

Polar Surface Area

82.665

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y031-1300 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with Y031-1300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1300?
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What is the minimum amount of Y031-1300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1300
  • 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 Y031-1300 available by request