F582-0893 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-ethylbutanoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

F582-0893 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-ethylbutanoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
F582-0893 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-ethylbutanoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F582-0893
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-ethylbutanoyl)-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

F582-0893

Molecular Formula

C22H28N4O4 (C22 H28 N4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-ethylbutanoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-(2-ethylbutanoyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-3-carboxamide

SMILES

CCC(CC)C(N(CC1)Cc2c1n(C)nc2C(NCc(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C22H28N4O4/c1-4-15(5-2)22(28)26-9-8-17-16(12-26)20(24-25(17)3)21(27)23-11-14-6-7-18-19(10-14)30-13-29-18/h6-7,10,15H,4-5,8-9,11-13H2,1-3H3,(H,23,27)

InChI Key

DCTLASWISAXELL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.282

Distribution Coefficient, logD

2.282

Water Solubility, LogSw

-2.96

Polar Surface Area

73.367

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F582-0893 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F582-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F582-0893?
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What is the minimum amount of F582-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F582-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F582-0893
  • 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 F582-0893 available by request