8019-4664 Screening compound: 1,3-benzothiazole-2-carbonitrile

8019-4664 Screening compound: 1,3-benzothiazole-2-carbonitrile
8019-4664 Screening compound: 1,3-benzothiazole-2-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4664
1,3-benzothiazole-2-carbonitrile

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

8019-4664

Molecular Formula

C8H4N2S (C8 H4 N2 S)

Compound Name

1,3-benzothiazole-2-carbonitrile

IUPAC name

13-benzothiazole-2-carbonitrile

SMILES

N#Cc1nc(cccc2)c2s1

InChI

InChI=1S/C8H4N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H

InChI Key

UYHQUNLVWOAJQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08848199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

160.2

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

2.370

Water Solubility, LogSw

-2.28

Polar Surface Area

27.510

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8019-4664 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-4664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4664?
Check Price and Availability of 8019-4664, 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 8019-4664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4664
  • 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 8019-4664 available by request