L325-0647 Screening compound: N-(3-bromophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide

L325-0647 Screening compound: N-(3-bromophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
L325-0647 Screening compound: N-(3-bromophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L325-0647
N-(3-bromophenyl)-1-(5-phenylpyrimidin-2-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

L325-0647

Molecular Formula

C22H21BrN4O (C22 H21 BrN4 O)

Compound Name

N-(3-bromophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide

IUPAC name

N-(3-bromophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c(nc1)ncc1-c1ccccc1)Nc1cccc(Br)c1

InChI

InChI=1S/C22H21BrN4O/c23-19-9-4-10-20(12-19)26-21(28)17-8-5-11-27(15-17)22-24-13-18(14-25-22)16-6-2-1-3-7-16/h1-4,6-7,9-10,12-14,17H,5,8,11,15H2,(H,26,28)/t17-/m0/s1

InChI Key

GXZFBWNFGYOLBY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27245462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.420

Distribution Coefficient, logD

4.420

Water Solubility, LogSw

-4.27

Polar Surface Area

44.985

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

L325-0647 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L325-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L325-0647?
Check Price and Availability of L325-0647, 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 L325-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L325-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L325-0647
  • 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 L325-0647 available by request