L868-1461 Screening compound: N-(4-cyanophenyl)-2-{[6-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-4-yl]oxy}acetamide

L868-1461 Screening compound: N-(4-cyanophenyl)-2-{[6-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-4-yl]oxy}acetamide
L868-1461 Screening compound: N-(4-cyanophenyl)-2-{[6-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-4-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L868-1461
N-(4-cyanophenyl)-2-{[6-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-4-yl]oxy}acetamide

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

L868-1461

Molecular Formula

C23H21N5O2 (C23 H21 N5 O2)

Compound Name

N-(4-cyanophenyl)-2-{[6-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-4-yl]oxy}acetamide

IUPAC name

N-(4-cyanophenyl)-2-{[6-methyl-2-(1234-tetrahydroisoquinolin-2-yl)pyrimidin-4-yl]oxy}acetamide

SMILES

Cc1cc(OCC(Nc(cc2)ccc2C#N)=O)nc(N(CC2)Cc3c2cccc3)n1

InChI

InChI=1S/C23H21N5O2/c1-16-12-22(30-15-21(29)26-20-8-6-17(13-24)7-9-20)27-23(25-16)28-11-10-18-4-2-3-5-19(18)14-28/h2-9,12H,10-11,14-15H2,1H3,(H,26,29)

InChI Key

AHJURFXJMVXWKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.259

Distribution Coefficient, logD

4.259

Water Solubility, LogSw

-4.22

Polar Surface Area

67.991

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L868-1461 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 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 L868-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L868-1461?
Check Price and Availability of L868-1461, 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 L868-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L868-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L868-1461
  • 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 L868-1461 available by request