P113-1258 Screening compound: 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

P113-1258 Screening compound: 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
P113-1258 Screening compound: 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P113-1258
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

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

P113-1258

Molecular Formula

C19H19ClN4OS2 (C19 H19 ClN4 OS2)

Compound Name

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(thiophen-2-yl)methyl]-13-thiazole-4-carboxamide

SMILES

O=C(c1csc(N(CC2)CCN2c(cc2)ccc2Cl)n1)NCc1cccs1

InChI

InChI=1S/C19H19ClN4OS2/c20-14-3-5-15(6-4-14)23-7-9-24(10-8-23)19-22-17(13-27-19)18(25)21-12-16-2-1-11-26-16/h1-6,11,13H,7-10,12H2,(H,21,25)

InChI Key

KBTSNPDLZAUCPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.97

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-5.10

Polar Surface Area

42.203

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

P113-1258 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P113-1258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P113-1258?
Check Price and Availability of P113-1258, 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 P113-1258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P113-1258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P113-1258
  • 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 P113-1258 available by request