C799-0463 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C799-0463 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
C799-0463 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0463
1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[(4-methoxyphenyl)methyl]piperidine-4-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

C799-0463

Molecular Formula

C27H30N6O2 (C27 H30 N6 O2)

Compound Name

1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-{34-dimethyl-2-phenyl-2H-pyrazolo[34-d]pyridazin-7-yl}-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

Cc(n(-c1ccccc1)nc12)c2c(C)nnc1N(CC1)CCC1C(NCc(cc1)ccc1OC)=O

InChI

InChI=1S/C27H30N6O2/c1-18-24-19(2)33(22-7-5-4-6-8-22)31-25(24)26(30-29-18)32-15-13-21(14-16-32)27(34)28-17-20-9-11-23(35-3)12-10-20/h4-12,21H,13-17H2,1-3H3,(H,28,34)

InChI Key

SKQWNHMYNWJAKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.151

Distribution Coefficient, logD

3.139

Water Solubility, LogSw

-3.39

Polar Surface Area

72.227

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C799-0463 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C799-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0463?
Check Price and Availability of C799-0463, 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 C799-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0463
  • 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 C799-0463 available by request