L968-0126 Screening compound: 3-{[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino}benzonitrile

L968-0126 Screening compound: 3-{[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino}benzonitrile
L968-0126 Screening compound: 3-{[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L968-0126
3-{[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino}benzonitrile

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

L968-0126

Molecular Formula

C22H21N5O (C22 H21 N5 O)

Compound Name

3-{[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino}benzonitrile

IUPAC name

3-{[7-methyl-3-(piperidine-1-carbonyl)-18-naphthyridin-4-yl]amino}benzonitrile

SMILES

Cc1ccc(c(Nc2cc(C#N)ccc2)c(cn2)C(N3CCCCC3)=O)c2n1

InChI

InChI=1S/C22H21N5O/c1-15-8-9-18-20(26-17-7-5-6-16(12-17)13-23)19(14-24-21(18)25-15)22(28)27-10-3-2-4-11-27/h5-9,12,14H,2-4,10-11H2,1H3,(H,24,25,26)

InChI Key

CCFOTZNFNFVVOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27490515

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.545

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.57

Polar Surface Area

60.061

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L968-0126 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L968-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L968-0126?
Check Price and Availability of L968-0126, 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 L968-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L968-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L968-0126
  • 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 L968-0126 available by request