P257-0329 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

P257-0329 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
P257-0329 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P257-0329
N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-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

P257-0329

Molecular Formula

C21H25ClFN5O (C21 H25 ClFN5 O)

Compound Name

N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1c(N2CCCC2)ncnc1)NCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C21H25ClFN5O/c22-18-11-17(23)4-3-16(18)12-25-21(29)15-5-9-27(10-6-15)19-13-24-14-26-20(19)28-7-1-2-8-28/h3-4,11,13-15H,1-2,5-10,12H2,(H,25,29)

InChI Key

BNMYTEVMCVYFIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27570430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.469

Distribution Coefficient, logD

3.397

Water Solubility, LogSw

-3.61

Polar Surface Area

51.835

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

P257-0329 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P257-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P257-0329?
Check Price and Availability of P257-0329, 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 P257-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P257-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P257-0329
  • 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 P257-0329 available by request