8015-2423 Screening compound: 5-{[(pyridin-3-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine

8015-2423 Screening compound: 5-{[(pyridin-3-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
8015-2423 Screening compound: 5-{[(pyridin-3-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2423
5-{[(pyridin-3-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine

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

8015-2423

Molecular Formula

C8H8N4S2 (C8 H8 N4 S2)

Compound Name

5-{[(pyridin-3-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine

IUPAC name

5-{[(pyridin-3-yl)methyl]sulfanyl}-134-thiadiazol-2-amine

SMILES

Nc1nnc(SCc2cnccc2)s1

InChI

InChI=1S/C8H8N4S2/c9-7-11-12-8(14-7)13-5-6-2-1-3-10-4-6/h1-4H,5H2,(H2,9,11)

InChI Key

WFNBJOAXBSZSLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.908

Distribution Coefficient, logD

0.832

Water Solubility, LogSw

-0.85

Polar Surface Area

53.148

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8015-2423 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-2423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2423?
Check Price and Availability of 8015-2423, 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 8015-2423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2423
  • 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 8015-2423 available by request