P803-1776 Screening compound: 1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane

P803-1776 Screening compound: 1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane
P803-1776 Screening compound: 1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P803-1776
1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-(thiophene-2-carbonyl)-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

P803-1776

Molecular Formula

C20H22N4O2S (C20 H22 N4 O2 S)

Compound Name

1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane

IUPAC name

1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-(thiophene-2-carbonyl)-14-diazepane

SMILES

COc(cc1)ccc1-c1n[nH]c(N(CCC2)CCN2C(c2cccs2)=O)c1

InChI

InChI=1S/C20H22N4O2S/c1-26-16-7-5-15(6-8-16)17-14-19(22-21-17)23-9-3-10-24(12-11-23)20(25)18-4-2-13-27-18/h2,4-8,13-14H,3,9-12H2,1H3,(H,21,22)

InChI Key

YOAFZGQVAYABQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28997275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.762

Distribution Coefficient, logD

3.762

Water Solubility, LogSw

-3.94

Polar Surface Area

50.993

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P803-1776 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Bcl2-PPI Inhibitors Library (12246 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
  • 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 P803-1776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P803-1776?
Check Price and Availability of P803-1776, 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 P803-1776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P803-1776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P803-1776
  • 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 P803-1776 available by request