8512-0139 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-nitrofuran-2-carboxamide

8512-0139 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-nitrofuran-2-carboxamide
8512-0139 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-nitrofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8512-0139
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-nitrofuran-2-carboxamide

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

8512-0139

Molecular Formula

C11H5ClN4O4S (C11 H5 ClN4 O4 S)

Compound Name

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-nitrofuran-2-carboxamide

IUPAC name

N-(5-chloro-213-benzothiadiazol-4-yl)-5-nitrofuran-2-carboxamide

SMILES

[O-][N+](c1ccc(C(Nc(c2nsnc2cc2)c2Cl)=O)o1)=O

InChI

InChI=1S/C11H5ClN4O4S/c12-5-1-2-6-10(15-21-14-6)9(5)13-11(17)7-3-4-8(20-7)16(18)19/h1-4H,(H,13,17)

InChI Key

YNSLXOVREVUGBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06608129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.546

Distribution Coefficient, logD

1.598

Water Solubility, LogSw

-3.48

Polar Surface Area

85.547

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8512-0139 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8512-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8512-0139?
Check Price and Availability of 8512-0139, 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 8512-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8512-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8512-0139
  • 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 8512-0139 available by request