L868-0079 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]oxy}acetamide

L868-0079 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]oxy}acetamide
L868-0079 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L868-0079
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[6-methyl-2-(piperidin-1-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

L868-0079

Molecular Formula

C19H20ClF3N4O2 (C19 H20 ClF3 N4 O2)

Compound Name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]oxy}acetamide

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]oxy}acetamide

SMILES

Cc1cc(OCC(Nc(cc2)cc(C(F)(F)F)c2Cl)=O)nc(N2CCCCC2)n1

InChI

InChI=1S/C19H20ClF3N4O2/c1-12-9-17(26-18(24-12)27-7-3-2-4-8-27)29-11-16(28)25-13-5-6-15(20)14(10-13)19(21,22)23/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,25,28)

InChI Key

WLWWQKXUIXMRBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.84

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

5.448

Distribution Coefficient, logD

5.418

Water Solubility, LogSw

-5.85

Polar Surface Area

51.273

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

L868-0079 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 L868-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L868-0079?
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What is the minimum amount of L868-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L868-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L868-0079
  • 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 L868-0079 available by request