C430-1152 Screening compound: 3-{3,5-dimethyl-1-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]-1H-pyrazol-4-yl}propanoic acid

C430-1152 Screening compound: 3-{3,5-dimethyl-1-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]-1H-pyrazol-4-yl}propanoic acid
C430-1152 Screening compound: 3-{3,5-dimethyl-1-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]-1H-pyrazol-4-yl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-1152
3-{3,5-dimethyl-1-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]-1H-pyrazol-4-yl}propanoic acid

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

C430-1152

Molecular Formula

C22H26N6O2 (C22 H26 N6 O2)

Compound Name

3-{3,5-dimethyl-1-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]-1H-pyrazol-4-yl}propanoic acid

IUPAC name

3-{35-dimethyl-1-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]-1H-pyrazol-4-yl}propanoic acid

SMILES

Cc1c(CCC(O)=O)c(C)nn1-c(cc1)nnc1N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C22H26N6O2/c1-16-19(8-11-22(29)30)17(2)28(25-16)21-10-9-20(23-24-21)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-7,9-10H,8,11-15H2,1-2H3,(H,29,30)

InChI Key

OHLDWDWDZHYTRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.734

Distribution Coefficient, logD

-0.093

Water Solubility, LogSw

-2.90

Polar Surface Area

70.423

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C430-1152 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C430-1152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-1152?
Check Price and Availability of C430-1152, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C430-1152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-1152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-1152
  • 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 C430-1152 available by request