C799-0652 Screening compound: 4-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide

C799-0652 Screening compound: 4-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
C799-0652 Screening compound: 4-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0652
4-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-fluorophenyl)piperazine-1-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

C799-0652

Molecular Formula

C24H23ClFN7O (C24 H23 ClFN7 O)

Compound Name

4-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide

IUPAC name

4-[2-(4-chlorophenyl)-34-dimethyl-2H-pyrazolo[34-d]pyridazin-7-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide

SMILES

Cc(n(-c(cc1)ccc1Cl)nc12)c2c(C)nnc1N(CC1)CCN1C(Nc(cccc1)c1F)=O

InChI

InChI=1S/C24H23ClFN7O/c1-15-21-16(2)33(18-9-7-17(25)8-10-18)30-22(21)23(29-28-15)31-11-13-32(14-12-31)24(34)27-20-6-4-3-5-19(20)26/h3-10H,11-14H2,1-2H3,(H,27,34)

InChI Key

ZNLSKAZJTCIPGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

4.183

Water Solubility, LogSw

-4.70

Polar Surface Area

64.849

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C799-0652 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C799-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0652?
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What is the minimum amount of C799-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0652
  • 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 C799-0652 available by request