P257-0330 Screening compound: 1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carboxamide

P257-0330 Screening compound: 1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carboxamide
P257-0330 Screening compound: 1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P257-0330
1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}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

P257-0330

Molecular Formula

C22H26F3N5O (C22 H26 F3 N5 O)

Compound Name

1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carboxamide

IUPAC name

1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1c(N2CCCC2)ncnc1)NCc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C22H26F3N5O/c23-22(24,25)18-6-2-1-5-17(18)13-27-21(31)16-7-11-29(12-8-16)19-14-26-15-28-20(19)30-9-3-4-10-30/h1-2,5-6,14-16H,3-4,7-13H2,(H,27,31)

InChI Key

NVJMKJKKKGHHQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27570431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.497

Distribution Coefficient, logD

3.424

Water Solubility, LogSw

-3.49

Polar Surface Area

51.835

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P257-0330 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P257-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P257-0330?
Check Price and Availability of P257-0330, 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 P257-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P257-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P257-0330
  • 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 P257-0330 available by request