P805-0834 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}-1H-1,3-benzodiazole-5-carboxamide

P805-0834 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}-1H-1,3-benzodiazole-5-carboxamide
P805-0834 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P805-0834
N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}-1H-1,3-benzodiazole-5-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

P805-0834

Molecular Formula

C22H21ClN6O (C22 H21 ClN6 O)

Compound Name

N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}-1H-13-benzodiazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1[nH]cn2)NC(CC1)CCN1c1cc(-c(cc2)ccc2Cl)n[nH]1

InChI

InChI=1S/C22H21ClN6O/c23-16-4-1-14(2-5-16)19-12-21(28-27-19)29-9-7-17(8-10-29)26-22(30)15-3-6-18-20(11-15)25-13-24-18/h1-6,11-13,17H,7-10H2,(H,24,25)(H,26,30)(H,27,28)

InChI Key

QMNALXRMGMZIKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28043117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.663

Distribution Coefficient, logD

3.661

Water Solubility, LogSw

-4.24

Polar Surface Area

70.120

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P805-0834 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P805-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P805-0834?
Check Price and Availability of P805-0834, 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 P805-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P805-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P805-0834
  • 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 P805-0834 available by request