P803-1081 Screening compound: 1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane

P803-1081 Screening compound: 1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane
P803-1081 Screening compound: 1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P803-1081
1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(5-methylthiophene-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

P803-1081

Molecular Formula

C20H21ClN4OS (C20 H21 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(N(CCC2)CCN2c2cc(-c(cc3)ccc3Cl)n[nH]2)=O)s1

InChI

InChI=1S/C20H21ClN4OS/c1-14-3-8-18(27-14)20(26)25-10-2-9-24(11-12-25)19-13-17(22-23-19)15-4-6-16(21)7-5-15/h3-8,13H,2,9-12H2,1H3,(H,22,23)

InChI Key

MUHRDAHPFVTDDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28997155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.010

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-5.20

Polar Surface Area

43.450

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P803-1081 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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)

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 P803-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P803-1081?
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What is the minimum amount of P803-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P803-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P803-1081
  • 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 P803-1081 available by request