P014-0152 Screening compound: N-{1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}cyclohexanecarboxamide

P014-0152 Screening compound: N-{1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}cyclohexanecarboxamide
P014-0152 Screening compound: N-{1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P014-0152
N-{1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}cyclohexanecarboxamide

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

P014-0152

Molecular Formula

C20H26N4O2S (C20 H26 N4 O2 S)

Compound Name

N-{1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}cyclohexanecarboxamide

IUPAC name

N-{1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)NC(CC1)CCN1C(c1cc(-c2cccs2)n[nH]1)=O

InChI

InChI=1S/C20H26N4O2S/c25-19(14-5-2-1-3-6-14)21-15-8-10-24(11-9-15)20(26)17-13-16(22-23-17)18-7-4-12-27-18/h4,7,12-15H,1-3,5-6,8-11H2,(H,21,25)(H,22,23)

InChI Key

XXZDDHMEZJEGPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.209

Distribution Coefficient, logD

3.209

Water Solubility, LogSw

-3.38

Polar Surface Area

64.534

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

P014-0152 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P014-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P014-0152?
Check Price and Availability of P014-0152, 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 P014-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P014-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P014-0152
  • 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 P014-0152 available by request