L868-1437 Screening compound: N-(2-ethyl-6-methylphenyl)-2-{[6-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-4-yl]oxy}acetamide

L868-1437 Screening compound: N-(2-ethyl-6-methylphenyl)-2-{[6-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-4-yl]oxy}acetamide
L868-1437 Screening compound: N-(2-ethyl-6-methylphenyl)-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 L868-1437
N-(2-ethyl-6-methylphenyl)-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

L868-1437

Molecular Formula

C25H28N4O2 (C25 H28 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1C)c1NC(COc1nc(N(CC2)Cc3c2cccc3)nc(C)c1)=O

InChI

InChI=1S/C25H28N4O2/c1-4-19-11-7-8-17(2)24(19)27-22(30)16-31-23-14-18(3)26-25(28-23)29-13-12-20-9-5-6-10-21(20)15-29/h5-11,14H,4,12-13,15-16H2,1-3H3,(H,27,30)

InChI Key

DADHJAFZMULHBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.274

Distribution Coefficient, logD

5.273

Water Solubility, LogSw

-5.13

Polar Surface Area

49.539

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L868-1437 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 L868-1437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L868-1437?
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What is the minimum amount of L868-1437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L868-1437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L868-1437
  • 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 L868-1437 available by request