F782-1891 Screening compound: N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1H,4H,5H-benzo[g]indazole-3-carboxamide

F782-1891 Screening compound: N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1H,4H,5H-benzo[g]indazole-3-carboxamide
F782-1891 Screening compound: N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1H,4H,5H-benzo[g]indazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F782-1891
N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-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

F782-1891

Molecular Formula

C23H21N5O2S (C23 H21 N5 O2 S)

Compound Name

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

IUPAC name

N-[2-(2-methylpropanamido)-13-benzothiazol-5-yl]-1H4H5H-benzo[g]indazole-3-carboxamide

SMILES

CC(C)C(Nc1nc(cc(cc2)NC(c3n[nH]c-4c3CCc3c4cccc3)=O)c2s1)=O

InChI

InChI=1S/C23H21N5O2S/c1-12(2)21(29)26-23-25-17-11-14(8-10-18(17)31-23)24-22(30)20-16-9-7-13-5-3-4-6-15(13)19(16)27-28-20/h3-6,8,10-12H,7,9H2,1-2H3,(H,24,30)(H,27,28)(H,25,26,29)

InChI Key

GKCSTVIEDQIENA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14966631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.234

Distribution Coefficient, logD

5.233

Water Solubility, LogSw

-4.99

Polar Surface Area

80.496

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F782-1891 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F782-1891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F782-1891?
Check Price and Availability of F782-1891, 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 F782-1891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F782-1891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F782-1891
  • 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 F782-1891 available by request