F584-0589 Screening compound: N~3~-benzyl-N~5~-(2-chlorophenyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide

F584-0589 Screening compound: N~3~-benzyl-N~5~-(2-chlorophenyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide
F584-0589 Screening compound: N~3~-benzyl-N~5~-(2-chlorophenyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F584-0589
N~3~-benzyl-N~5~-(2-chlorophenyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide

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

F584-0589

Molecular Formula

C22H22ClN5O2 (C22 H22 ClN5 O2)

Compound Name

N~3~-benzyl-N~5~-(2-chlorophenyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide

IUPAC name

N3-benzyl-N5-(2-chlorophenyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-35-dicarboxamide

SMILES

Cn1nc(C(NCc2ccccc2)=O)c(C2)c1CCN2C(Nc(cccc1)c1Cl)=O

InChI

InChI=1S/C22H22ClN5O2/c1-27-19-11-12-28(22(30)25-18-10-6-5-9-17(18)23)14-16(19)20(26-27)21(29)24-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,24,29)(H,25,30)

InChI Key

CKBICZIUQCUSCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-3.39

Polar Surface Area

64.103

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

8.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

F584-0589 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F584-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F584-0589?
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What is the minimum amount of F584-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F584-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F584-0589
  • 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 F584-0589 available by request