Y031-2064 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)propanamide

Y031-2064 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)propanamide
Y031-2064 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2064
3-[(4-chlorophenyl)sulfanyl]-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

Y031-2064

Molecular Formula

C11H10ClN3OS2 (C11 H10 ClN3 OS2)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)propanamide

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-N-(134-thiadiazol-2-yl)propanamide

SMILES

O=C(CCSc(cc1)ccc1Cl)Nc1nncs1

InChI

InChI=1S/C11H10ClN3OS2/c12-8-1-3-9(4-2-8)17-6-5-10(16)14-11-15-13-7-18-11/h1-4,7H,5-6H2,(H,14,15,16)

InChI Key

OOQVUMWVPWZWPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07067984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.8

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

2.861

Distribution Coefficient, logD

2.843

Water Solubility, LogSw

-3.56

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

Y031-2064 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with Y031-2064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2064?
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What is the minimum amount of Y031-2064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2064
  • 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 Y031-2064 available by request