F426-0395 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

F426-0395 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
F426-0395 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F426-0395
N-[(3,4-diethoxyphenyl)methyl]-1-[6-(4-methylphenyl)pyrimidin-4-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

F426-0395

Molecular Formula

C28H34N4O3 (C28 H34 N4 O3)

Compound Name

N-[(3,4-diethoxyphenyl)methyl]-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

IUPAC name

N-[(34-diethoxyphenyl)methyl]-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

SMILES

CCOc(ccc(CNC(C(CC1)CCN1c1ncnc(-c2ccc(C)cc2)c1)=O)c1)c1OCC

InChI

InChI=1S/C28H34N4O3/c1-4-34-25-11-8-21(16-26(25)35-5-2)18-29-28(33)23-12-14-32(15-13-23)27-17-24(30-19-31-27)22-9-6-20(3)7-10-22/h6-11,16-17,19,23H,4-5,12-15,18H2,1-3H3,(H,29,33)

InChI Key

JLLVSZUYZBHXFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27127375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.747

Distribution Coefficient, logD

4.733

Water Solubility, LogSw

-4.42

Polar Surface Area

61.527

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

F426-0395 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F426-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F426-0395?
Check Price and Availability of F426-0395, 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 F426-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F426-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F426-0395
  • 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 F426-0395 available by request