8011-1459 Screening compound: 5-[(cyclohex-1-en-1-yl)methyl]-1,3,4-thiadiazol-2-amine

8011-1459 Screening compound: 5-[(cyclohex-1-en-1-yl)methyl]-1,3,4-thiadiazol-2-amine
8011-1459 Screening compound: 5-[(cyclohex-1-en-1-yl)methyl]-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1459
5-[(cyclohex-1-en-1-yl)methyl]-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

8011-1459

Molecular Formula

C9H13N3S (C9 H13 N3 S)

Compound Name

5-[(cyclohex-1-en-1-yl)methyl]-1,3,4-thiadiazol-2-amine

IUPAC name

5-[(cyclohex-1-en-1-yl)methyl]-134-thiadiazol-2-amine

SMILES

Nc1nnc(CC2=CCCCC2)s1

InChI

InChI=1S/C9H13N3S/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H2,10,12)

InChI Key

OPNWXVNDBQOTJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01826961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.29

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

1.843

Distribution Coefficient, logD

1.843

Water Solubility, LogSw

-1.84

Polar Surface Area

44.956

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

8011-1459 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Antiviral Annotated Library (21441 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 8011-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1459?
Check Price and Availability of 8011-1459, 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 8011-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1459
  • 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 8011-1459 available by request