C696-0072 Screening compound: 1-{4-[(pyridin-3-yl)methyl]phthalazin-1-yl}piperidine-4-carboxamide

C696-0072 Screening compound: 1-{4-[(pyridin-3-yl)methyl]phthalazin-1-yl}piperidine-4-carboxamide
C696-0072 Screening compound: 1-{4-[(pyridin-3-yl)methyl]phthalazin-1-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0072
1-{4-[(pyridin-3-yl)methyl]phthalazin-1-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

C696-0072

Molecular Formula

C20H21N5O (C20 H21 N5 O)

Compound Name

1-{4-[(pyridin-3-yl)methyl]phthalazin-1-yl}piperidine-4-carboxamide

IUPAC name

1-{4-[(pyridin-3-yl)methyl]phthalazin-1-yl}piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1c1nnc(Cc2cnccc2)c2ccccc12)=O

InChI

InChI=1S/C20H21N5O/c21-19(26)15-7-10-25(11-8-15)20-17-6-2-1-5-16(17)18(23-24-20)12-14-4-3-9-22-13-14/h1-6,9,13,15H,7-8,10-12H2,(H2,21,26)

InChI Key

PPLUAPNIBZCFQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.601

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-1.21

Polar Surface Area

69.666

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C696-0072 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C696-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0072?
Check Price and Availability of C696-0072, 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 C696-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0072
  • 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 C696-0072 available by request