F281-0087 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-1H,4H,5H-benzo[g]indazole-3-carboxamide

F281-0087 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-1H,4H,5H-benzo[g]indazole-3-carboxamide
F281-0087 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-1H,4H,5H-benzo[g]indazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F281-0087
N-(2,1,3-benzothiadiazol-4-yl)-1H,4H,5H-benzo[g]indazole-3-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

F281-0087

Molecular Formula

C18H13N5OS (C18 H13 N5 OS)

Compound Name

N-(2,1,3-benzothiadiazol-4-yl)-1H,4H,5H-benzo[g]indazole-3-carboxamide

IUPAC name

N-(213-benzothiadiazol-4-yl)-1H4H5H-benzo[g]indazole-3-carboxamide

SMILES

O=C(c1n[nH]c-2c1CCc1c2cccc1)Nc1cccc2nsnc12

InChI

InChI=1S/C18H13N5OS/c24-18(19-13-6-3-7-14-17(13)23-25-22-14)16-12-9-8-10-4-1-2-5-11(10)15(12)20-21-16/h1-7H,8-9H2,(H,19,24)(H,20,21)

InChI Key

SOXHOTSXSZYKGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14947091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.167

Water Solubility, LogSw

-4.49

Polar Surface Area

67.626

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F281-0087 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F281-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F281-0087?
Check Price and Availability of F281-0087, 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 F281-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F281-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F281-0087
  • 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 F281-0087 available by request