P257-0394 Screening compound: N-[(4-bromophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

P257-0394 Screening compound: N-[(4-bromophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
P257-0394 Screening compound: N-[(4-bromophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P257-0394
N-[(4-bromophenyl)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

P257-0394

Molecular Formula

C21H26BrN5O (C21 H26 BrN5 O)

Compound Name

N-[(4-bromophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

IUPAC name

N-[(4-bromophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1c(N2CCCC2)ncnc1)NCc(cc1)ccc1Br

InChI

InChI=1S/C21H26BrN5O/c22-18-5-3-16(4-6-18)13-24-21(28)17-7-11-26(12-8-17)19-14-23-15-25-20(19)27-9-1-2-10-27/h3-6,14-15,17H,1-2,7-13H2,(H,24,28)

InChI Key

SSZNOLWVUMKANV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27570450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.37

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

3.280

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.04

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

P257-0394 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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 P257-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P257-0394?
Check Price and Availability of P257-0394, 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 P257-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P257-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P257-0394
  • 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 P257-0394 available by request