L868-1490 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{[6-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-4-yl]oxy}acetamide

L868-1490 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{[6-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-4-yl]oxy}acetamide
L868-1490 Screening compound: N-(3-chloro-4-methoxyphenyl)-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 L868-1490
N-(3-chloro-4-methoxyphenyl)-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

L868-1490

Molecular Formula

C23H23ClN4O3 (C23 H23 ClN4 O3)

Compound Name

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

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-{[6-methyl-2-(1234-tetrahydroisoquinolin-2-yl)pyrimidin-4-yl]oxy}acetamide

SMILES

Cc1cc(OCC(Nc(cc2)cc(Cl)c2OC)=O)nc(N(CC2)Cc3c2cccc3)n1

InChI

InChI=1S/C23H23ClN4O3/c1-15-11-22(31-14-21(29)26-18-7-8-20(30-2)19(24)12-18)27-23(25-15)28-10-9-16-5-3-4-6-17(16)13-28/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,26,29)

InChI Key

WKKIHFBUGSUTMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.91

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

5.115

Distribution Coefficient, logD

5.115

Water Solubility, LogSw

-5.58

Polar Surface Area

58.565

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L868-1490 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L868-1490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L868-1490?
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What is the minimum amount of L868-1490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L868-1490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L868-1490
  • 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 L868-1490 available by request