P809-0829 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-1H-1,3-benzodiazole-5-carboxamide

P809-0829 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-1H-1,3-benzodiazole-5-carboxamide
P809-0829 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P809-0829
N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-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

P809-0829

Molecular Formula

C21H19ClN6O (C21 H19 ClN6 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc2c1[nH]cn2)NC(CC1)CN1c1cc(-c(cc2)ccc2Cl)n[nH]1

InChI

InChI=1S/C21H19ClN6O/c22-15-4-1-13(2-5-15)18-10-20(27-26-18)28-8-7-16(11-28)25-21(29)14-3-6-17-19(9-14)24-12-23-17/h1-6,9-10,12,16H,7-8,11H2,(H,23,24)(H,25,29)(H,26,27)/t16-/m1/s1

InChI Key

FEOAYJNNBYHJRX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD28997767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.87

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

3.436

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.98

Polar Surface Area

70.420

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

P809-0829 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P809-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P809-0829?
Check Price and Availability of P809-0829, 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 P809-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P809-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P809-0829
  • 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 P809-0829 available by request