L868-1097 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[3-(methylsulfanyl)phenyl]acetamide

L868-1097 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[3-(methylsulfanyl)phenyl]acetamide
L868-1097 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L868-1097
2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[3-(methylsulfanyl)phenyl]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

L868-1097

Molecular Formula

C20H26N4O2S (C20 H26 N4 O2 S)

Compound Name

2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

Cc1cc(OCC(Nc2cccc(SC)c2)=O)nc(N2CCCCCC2)n1

InChI

InChI=1S/C20H26N4O2S/c1-15-12-19(23-20(21-15)24-10-5-3-4-6-11-24)26-14-18(25)22-16-8-7-9-17(13-16)27-2/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,22,25)

InChI Key

WBFBKSZVCMPENK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.798

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-4.50

Polar Surface Area

51.604

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

L868-1097 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 L868-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L868-1097?
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What is the minimum amount of L868-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L868-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L868-1097
  • 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 L868-1097 available by request