P807-0098 Screening compound: 3-(dimethylamino)-N-({1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)benzamide

P807-0098 Screening compound: 3-(dimethylamino)-N-({1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)benzamide
P807-0098 Screening compound: 3-(dimethylamino)-N-({1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P807-0098
3-(dimethylamino)-N-({1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)benzamide

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

P807-0098

Molecular Formula

C23H28N6O (C23 H28 N6 O)

Compound Name

3-(dimethylamino)-N-({1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)benzamide

IUPAC name

3-(dimethylamino)-N-({1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)benzamide

SMILES

CN(C)c1cccc(C(NCC(CC2)CCN2c2cc(-c3ccncc3)n[nH]2)=O)c1

InChI

InChI=1S/C23H28N6O/c1-28(2)20-5-3-4-19(14-20)23(30)25-16-17-8-12-29(13-9-17)22-15-21(26-27-22)18-6-10-24-11-7-18/h3-7,10-11,14-15,17H,8-9,12-13,16H2,1-2H3,(H,25,30)(H,26,27)

InChI Key

KXMSUWBIJHGBKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.262

Water Solubility, LogSw

-3.29

Polar Surface Area

62.290

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

P807-0098 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)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P807-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P807-0098?
Check Price and Availability of P807-0098, 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 P807-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P807-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P807-0098
  • 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 P807-0098 available by request