P809-1145 Screening compound: N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide

P809-1145 Screening compound: N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
P809-1145 Screening compound: N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P809-1145
N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-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

P809-1145

Molecular Formula

C22H22N4O4 (C22 H22 N4 O4)

Compound Name

N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

COc(cc1)ccc1-c1n[nH]c(N(CC2)CC2NC(c(cc2)cc3c2OCO3)=O)c1

InChI

InChI=1S/C22H22N4O4/c1-28-17-5-2-14(3-6-17)18-11-21(25-24-18)26-9-8-16(12-26)23-22(27)15-4-7-19-20(10-15)30-13-29-19/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,23,27)(H,24,25)/t16-/m0/s1

InChI Key

IJPPUALAJKXUFF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28997739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.66

Polar Surface Area

74.549

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

P809-1145 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P809-1145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P809-1145?
Check Price and Availability of P809-1145, 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 P809-1145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P809-1145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P809-1145
  • 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 P809-1145 available by request