L227-0096 Screening compound: N-(4-chloro-2-fluorophenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide

L227-0096 Screening compound: N-(4-chloro-2-fluorophenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
L227-0096 Screening compound: N-(4-chloro-2-fluorophenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L227-0096
N-(4-chloro-2-fluorophenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide

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

L227-0096

Molecular Formula

C26H25ClFN5O (C26 H25 ClFN5 O)

Compound Name

N-(4-chloro-2-fluorophenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide

IUPAC name

N-(4-chloro-2-fluorophenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[15-a]pyrimidin-7-yl]piperidine-4-carboxamide

SMILES

Cc(cc1)ccc1-c1nn2c(N(CC3)CCC3C(Nc(ccc(Cl)c3)c3F)=O)cc(C)nc2c1

InChI

InChI=1S/C26H25ClFN5O/c1-16-3-5-18(6-4-16)23-15-24-29-17(2)13-25(33(24)31-23)32-11-9-19(10-12-32)26(34)30-22-8-7-20(27)14-21(22)28/h3-8,13-15,19H,9-12H2,1-2H3,(H,30,34)

InChI Key

OOUZJRUYEVVGIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15120503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.086

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-6.24

Polar Surface Area

44.127

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

L227-0096 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L227-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L227-0096?
Check Price and Availability of L227-0096, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L227-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L227-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L227-0096
  • 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 L227-0096 available by request