P113-0828 Screening compound: 1-phenyl-4-[4-(4-propylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperazine

P113-0828 Screening compound: 1-phenyl-4-[4-(4-propylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperazine
P113-0828 Screening compound: 1-phenyl-4-[4-(4-propylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P113-0828
1-phenyl-4-[4-(4-propylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperazine

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

P113-0828

Molecular Formula

C21H29N5OS (C21 H29 N5 OS)

Compound Name

1-phenyl-4-[4-(4-propylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperazine

IUPAC name

1-phenyl-4-[4-(4-propylpiperazine-1-carbonyl)-13-thiazol-2-yl]piperazine

SMILES

CCCN(CC1)CCN1C(c1csc(N(CC2)CCN2c2ccccc2)n1)=O

InChI

InChI=1S/C21H29N5OS/c1-2-8-23-9-11-25(12-10-23)20(27)19-17-28-21(22-19)26-15-13-24(14-16-26)18-6-4-3-5-7-18/h3-7,17H,2,8-16H2,1H3

InChI Key

SJGDUSZUHKFUJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.43

Polar Surface Area

37.210

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

P113-0828 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with P113-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P113-0828?
Check Price and Availability of P113-0828, 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 P113-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P113-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P113-0828
  • 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 P113-0828 available by request