C591-0363 Screening compound: N-(3,4-dimethylphenyl)-1-[6-(morpholin-4-yl)pyridazin-3-yl]piperidine-4-carboxamide

C591-0363 Screening compound: N-(3,4-dimethylphenyl)-1-[6-(morpholin-4-yl)pyridazin-3-yl]piperidine-4-carboxamide
C591-0363 Screening compound: N-(3,4-dimethylphenyl)-1-[6-(morpholin-4-yl)pyridazin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C591-0363
N-(3,4-dimethylphenyl)-1-[6-(morpholin-4-yl)pyridazin-3-yl]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

C591-0363

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

N-(3,4-dimethylphenyl)-1-[6-(morpholin-4-yl)pyridazin-3-yl]piperidine-4-carboxamide

IUPAC name

N-(34-dimethylphenyl)-1-[6-(morpholin-4-yl)pyridazin-3-yl]piperidine-4-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(C(CC1)CCN1c(cc1)nnc1N1CCOCC1)=O

InChI

InChI=1S/C22H29N5O2/c1-16-3-4-19(15-17(16)2)23-22(28)18-7-9-26(10-8-18)20-5-6-21(25-24-20)27-11-13-29-14-12-27/h3-6,15,18H,7-14H2,1-2H3,(H,23,28)

InChI Key

SVAKGZFFWSEUAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.29

Polar Surface Area

58.813

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C591-0363 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C591-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C591-0363?
Check Price and Availability of C591-0363, 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 C591-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C591-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C591-0363
  • 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 C591-0363 available by request