P805-1082 Screening compound: 4-acetamido-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide

P805-1082 Screening compound: 4-acetamido-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide
P805-1082 Screening compound: 4-acetamido-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P805-1082
4-acetamido-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperidin-4-yl}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

P805-1082

Molecular Formula

C21H23N5O2S (C21 H23 N5 O2 S)

Compound Name

4-acetamido-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide

IUPAC name

4-acetamido-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide

SMILES

CC(Nc(cc1)ccc1C(NC(CC1)CCN1c1cc(-c2cccs2)n[nH]1)=O)=O

InChI

InChI=1S/C21H23N5O2S/c1-14(27)22-16-6-4-15(5-7-16)21(28)23-17-8-10-26(11-9-17)20-13-18(24-25-20)19-3-2-12-29-19/h2-7,12-13,17H,8-11H2,1H3,(H,22,27)(H,23,28)(H,24,25)

InChI Key

WDYVDAGNGYAIEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28043066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.674

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-3.15

Polar Surface Area

73.871

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

P805-1082 in Drug Discovery

Included in Screening Libraries

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

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Bromodomain Modulators Library (5801 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
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P805-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P805-1082?
Check Price and Availability of P805-1082, 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 P805-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P805-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P805-1082
  • 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 P805-1082 available by request