F582-0827 Screening compound: N-benzyl-5-(6-methoxy-1H-indole-2-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

F582-0827 Screening compound: N-benzyl-5-(6-methoxy-1H-indole-2-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
F582-0827 Screening compound: N-benzyl-5-(6-methoxy-1H-indole-2-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F582-0827
N-benzyl-5-(6-methoxy-1H-indole-2-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-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

F582-0827

Molecular Formula

C25H25N5O3 (C25 H25 N5 O3)

Compound Name

N-benzyl-5-(6-methoxy-1H-indole-2-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

IUPAC name

N-benzyl-5-(6-methoxy-1H-indole-2-carbonyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-3-carboxamide

SMILES

Cn1nc(C(NCc2ccccc2)=O)c(C2)c1CCN2C(c1cc(ccc(OC)c2)c2[nH]1)=O

InChI

InChI=1S/C25H25N5O3/c1-29-22-10-11-30(25(32)21-12-17-8-9-18(33-2)13-20(17)27-21)15-19(22)23(28-29)24(31)26-14-16-6-4-3-5-7-16/h3-9,12-13,27H,10-11,14-15H2,1-2H3,(H,26,31)

InChI Key

CAVQBAPEJMCJRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.59

Polar Surface Area

72.873

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

F582-0827 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F582-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F582-0827?
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What is the minimum amount of F582-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F582-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F582-0827
  • 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 F582-0827 available by request