8008-6271 Screening compound: 5-benzyl-1,3,4-thiadiazol-2-amine

8008-6271 Screening compound: 5-benzyl-1,3,4-thiadiazol-2-amine
8008-6271 Screening compound: 5-benzyl-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6271
5-benzyl-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

8008-6271

Molecular Formula

C9H9N3S (C9 H9 N3 S)

Compound Name

5-benzyl-1,3,4-thiadiazol-2-amine

IUPAC name

5-benzyl-134-thiadiazol-2-amine

SMILES

Nc1nnc(Cc2ccccc2)s1

InChI

InChI=1S/C9H9N3S/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)

InChI Key

HKTCSEFOSVTSQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00628647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

191.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.576

Distribution Coefficient, logD

1.576

Water Solubility, LogSw

-1.55

Polar Surface Area

44.764

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8008-6271 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments
Therapeutical areas:
  • Eye
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-6271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6271?
Check Price and Availability of 8008-6271, 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 8008-6271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6271
  • 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 8008-6271 available by request