F582-1344 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3-chloro-5-isoxazolyl)propanoyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

F582-1344 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3-chloro-5-isoxazolyl)propanoyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
F582-1344 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3-chloro-5-isoxazolyl)propanoyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F582-1344
N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3-chloro-5-isoxazolyl)propanoyl]-1-methyl-4,5,6,7-tetrahydro-1H-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

F582-1344

Molecular Formula

C22H22ClN5O5 (C22 H22 ClN5 O5)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3-chloro-5-isoxazolyl)propanoyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-[3-(3-chloro-12-oxazol-5-yl)propanoyl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-3-carboxamide

SMILES

Cn1nc(C(NCc(cc2)cc3c2OCO3)=O)c(C2)c1CCN2C(CCc1cc(Cl)no1)=O

InChI

InChI=1S/C22H22ClN5O5/c1-27-16-6-7-28(20(29)5-3-14-9-19(23)26-33-14)11-15(16)21(25-27)22(30)24-10-13-2-4-17-18(8-13)32-12-31-17/h2,4,8-9H,3,5-7,10-12H2,1H3,(H,24,30)

InChI Key

LXJXVSRZGFNLIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.533

Distribution Coefficient, logD

1.533

Water Solubility, LogSw

-2.75

Polar Surface Area

93.412

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

F582-1344 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F582-1344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F582-1344?
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What is the minimum amount of F582-1344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F582-1344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F582-1344
  • 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 F582-1344 available by request