Y031-1078 Screening compound: 3-(phenylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)propanamide

Y031-1078 Screening compound: 3-(phenylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
Y031-1078 Screening compound: 3-(phenylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1078
3-(phenylsulfanyl)-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

Y031-1078

Molecular Formula

C11H11N3OS2 (C11 H11 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCSc1ccccc1)Nc1nncs1

InChI

InChI=1S/C11H11N3OS2/c15-10(13-11-14-12-8-17-11)6-7-16-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14,15)

InChI Key

OLYBUZPSSIQXCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06153874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.081

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.71

Polar Surface Area

46.692

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

Y031-1078 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1078?
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What is the minimum amount of Y031-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1078
  • 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 Y031-1078 available by request