P803-1103 Screening compound: 5-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}-1H-1,3-benzodiazole

P803-1103 Screening compound: 5-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}-1H-1,3-benzodiazole
P803-1103 Screening compound: 5-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P803-1103
5-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}-1H-1,3-benzodiazole

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

P803-1103

Molecular Formula

C22H21ClN6O (C22 H21 ClN6 O)

Compound Name

5-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}-1H-1,3-benzodiazole

IUPAC name

5-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-14-diazepane-1-carbonyl}-1H-13-benzodiazole

SMILES

O=C(c(cc1)cc2c1[nH]cn2)N(CCC1)CCN1c1cc(-c(cc2)ccc2Cl)n[nH]1

InChI

InChI=1S/C22H21ClN6O/c23-17-5-2-15(3-6-17)19-13-21(27-26-19)28-8-1-9-29(11-10-28)22(30)16-4-7-18-20(12-16)25-14-24-18/h2-7,12-14H,1,8-11H2,(H,24,25)(H,26,27)

InChI Key

LUQNIRANLNYPQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28997164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.85

Polar Surface Area

62.961

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P803-1103 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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

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

References: we are preparing a list of scientific research reports with P803-1103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P803-1103?
Check Price and Availability of P803-1103, 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 P803-1103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P803-1103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P803-1103
  • 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 P803-1103 available by request