P803-0519 Screening compound: 1-BENZOYL-4-[3-(2H-1,3-BENZODIOXOL-5-YL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPANE

P803-0519 Screening compound: 1-BENZOYL-4-[3-(2H-1,3-BENZODIOXOL-5-YL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPANE
P803-0519 Screening compound: 1-BENZOYL-4-[3-(2H-1,3-BENZODIOXOL-5-YL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPANE alternative view

Chemical Structure Depiction of ChemDiv screening compound P803-0519
1-BENZOYL-4-[3-(2H-1,3-BENZODIOXOL-5-YL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPANE

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

P803-0519

Molecular Formula

C22H22N4O3 (C22 H22 N4 O3)

Compound Name

1-BENZOYL-4-[3-(2H-1,3-BENZODIOXOL-5-YL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPANE

IUPAC name

1-benzoyl-4-[3-(2H-13-benzodioxol-5-yl)-1H-pyrazol-5-yl]-14-diazepane

SMILES

O=C(c1ccccc1)N(CCC1)CCN1c1cc(-c(cc2)cc3c2OCO3)n[nH]1

InChI

InChI=1S/C22H22N4O3/c27-22(16-5-2-1-3-6-16)26-10-4-9-25(11-12-26)21-14-18(23-24-21)17-7-8-19-20(13-17)29-15-28-19/h1-3,5-8,13-14H,4,9-12,15H2,(H,23,24)

InChI Key

LCVNMSOATKCUCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-3.56

Polar Surface Area

59.547

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

P803-0519 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P803-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P803-0519?
Check Price and Availability of P803-0519, 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 P803-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P803-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P803-0519
  • 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 P803-0519 available by request