L868-1093 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-(2-ethoxyphenyl)acetamide

L868-1093 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-(2-ethoxyphenyl)acetamide
L868-1093 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-(2-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L868-1093
2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-(2-ethoxyphenyl)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

L868-1093

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-(2-ethoxyphenyl)acetamide

IUPAC name

2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-(2-ethoxyphenyl)acetamide

SMILES

CCOc(cccc1)c1NC(COc1nc(N2CCCCCC2)nc(C)c1)=O

InChI

InChI=1S/C21H28N4O3/c1-3-27-18-11-7-6-10-17(18)23-19(26)15-28-20-14-16(2)22-21(24-20)25-12-8-4-5-9-13-25/h6-7,10-11,14H,3-5,8-9,12-13,15H2,1-2H3,(H,23,26)

InChI Key

AVRIISFLBGVWOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.20

Polar Surface Area

58.116

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

L868-1093 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with L868-1093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L868-1093?
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What is the minimum amount of L868-1093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L868-1093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L868-1093
  • 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 L868-1093 available by request