P113-0831 Screening compound: 1-[4-(3-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-4-phenylpiperazine

P113-0831 Screening compound: 1-[4-(3-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-4-phenylpiperazine
P113-0831 Screening compound: 1-[4-(3-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P113-0831
1-[4-(3-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-4-phenylpiperazine

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

P113-0831

Molecular Formula

C20H26N4OS (C20 H26 N4 OS)

Compound Name

1-[4-(3-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-4-phenylpiperazine

IUPAC name

1-[4-(3-methylpiperidine-1-carbonyl)-13-thiazol-2-yl]-4-phenylpiperazine

SMILES

CC(CCC1)CN1C(c1csc(N(CC2)CCN2c2ccccc2)n1)=O

InChI

InChI=1S/C20H26N4OS/c1-16-6-5-9-24(14-16)19(25)18-15-26-20(21-18)23-12-10-22(11-13-23)17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3/t16-/m0/s1

InChI Key

VOCWDMLDCILHRP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27565135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.058

Distribution Coefficient, logD

4.058

Water Solubility, LogSw

-3.99

Polar Surface Area

33.353

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

P113-0831 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P113-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P113-0831?
Check Price and Availability of P113-0831, 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 P113-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P113-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P113-0831
  • 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 P113-0831 available by request