P803-0874 Screening compound: 1-(3-phenyl-1H-pyrazol-5-yl)-4-(3,4,5-triethoxybenzoyl)-1,4-diazepane

P803-0874 Screening compound: 1-(3-phenyl-1H-pyrazol-5-yl)-4-(3,4,5-triethoxybenzoyl)-1,4-diazepane
P803-0874 Screening compound: 1-(3-phenyl-1H-pyrazol-5-yl)-4-(3,4,5-triethoxybenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P803-0874
1-(3-phenyl-1H-pyrazol-5-yl)-4-(3,4,5-triethoxybenzoyl)-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

P803-0874

Molecular Formula

C27H34N4O4 (C27 H34 N4 O4)

Compound Name

1-(3-phenyl-1H-pyrazol-5-yl)-4-(3,4,5-triethoxybenzoyl)-1,4-diazepane

IUPAC name

1-(3-phenyl-1H-pyrazol-5-yl)-4-(345-triethoxybenzoyl)-14-diazepane

SMILES

CCOc1cc(C(N(CCC2)CCN2c2cc(-c3ccccc3)n[nH]2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C27H34N4O4/c1-4-33-23-17-21(18-24(34-5-2)26(23)35-6-3)27(32)31-14-10-13-30(15-16-31)25-19-22(28-29-25)20-11-8-7-9-12-20/h7-9,11-12,17-19H,4-6,10,13-16H2,1-3H3,(H,28,29)

InChI Key

URDCKUZYFKWENY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28041799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-4.03

Polar Surface Area

64.149

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

P803-0874 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P803-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P803-0874?
Check Price and Availability of P803-0874, 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 P803-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P803-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P803-0874
  • 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 P803-0874 available by request