R079-0002 Screening compound: 2,1,3-benzothiadiazol-5-amine

R079-0002 Screening compound: 2,1,3-benzothiadiazol-5-amine
R079-0002 Screening compound: 2,1,3-benzothiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound R079-0002
2,1,3-benzothiadiazol-5-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

R079-0002

Molecular Formula

C6H5N3S (C6 H5 N3 S)

Compound Name

2,1,3-benzothiadiazol-5-amine

IUPAC name

213-benzothiadiazol-5-amine

SMILES

Nc1cc2nsnc2cc1

InChI

InChI=1S/C6H5N3S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2

InChI Key

JRJPKRSKPOCUEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00185826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

151.19

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.394

Distribution Coefficient, logD

1.394

Water Solubility, LogSw

-1.58

Polar Surface Area

41.227

Acid Dissociation Constant (pKa)

19.79

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

R079-0002 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with R079-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R079-0002?
Check Price and Availability of R079-0002, 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 R079-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R079-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R079-0002
  • 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 R079-0002 available by request