L868-1143 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-(4-fluorophenyl)-N-methylacetamide

L868-1143 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-(4-fluorophenyl)-N-methylacetamide
L868-1143 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-(4-fluorophenyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L868-1143
2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-(4-fluorophenyl)-N-methylacetamide

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

L868-1143

Molecular Formula

C20H25FN4O2 (C20 H25 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(OCC(N(C)c(cc2)ccc2F)=O)nc(N2CCCCCC2)n1

InChI

InChI=1S/C20H25FN4O2/c1-15-13-18(23-20(22-15)25-11-5-3-4-6-12-25)27-14-19(26)24(2)17-9-7-16(21)8-10-17/h7-10,13H,3-6,11-12,14H2,1-2H3

InChI Key

SQJHDLNTGGOHMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-3.82

Polar Surface Area

43.568

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

L868-1143 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L868-1143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L868-1143?
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What is the minimum amount of L868-1143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L868-1143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L868-1143
  • 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 L868-1143 available by request