F726-0386 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide

F726-0386 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
F726-0386 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F726-0386
N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-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

F726-0386

Molecular Formula

C23H22ClFN4O2 (C23 H22 ClFN4 O2)

Compound Name

N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide

SMILES

COc(ccc(NC(C(CCC1)CN1c1nc(-c(cc2)ccc2F)ncc1)=O)c1)c1Cl

InChI

InChI=1S/C23H22ClFN4O2/c1-31-20-9-8-18(13-19(20)24)27-23(30)16-3-2-12-29(14-16)21-10-11-26-22(28-21)15-4-6-17(25)7-5-15/h4-11,13,16H,2-3,12,14H2,1H3,(H,27,30)/t16-/m0/s1

InChI Key

RQXHDOKYCRZHIE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27188307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.520

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.74

Polar Surface Area

52.541

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

F726-0386 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F726-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F726-0386?
Check Price and Availability of F726-0386, 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 F726-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F726-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F726-0386
  • 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 F726-0386 available by request