P805-0658 Screening compound: 3-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-4-yl]thiophene-2-carboxamide

P805-0658 Screening compound: 3-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-4-yl]thiophene-2-carboxamide
P805-0658 Screening compound: 3-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-4-yl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P805-0658
3-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-4-yl]thiophene-2-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

P805-0658

Molecular Formula

C20H22N4OS (C20 H22 N4 OS)

Compound Name

3-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-4-yl]thiophene-2-carboxamide

IUPAC name

3-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-4-yl]thiophene-2-carboxamide

SMILES

Cc1c(C(NC(CC2)CCN2c2cc(-c3ccccc3)n[nH]2)=O)scc1

InChI

InChI=1S/C20H22N4OS/c1-14-9-12-26-19(14)20(25)21-16-7-10-24(11-8-16)18-13-17(22-23-18)15-5-3-2-4-6-15/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,21,25)(H,22,23)

InChI Key

YSOBQDOWBJUOJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28042853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-4.01

Polar Surface Area

50.609

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P805-0658 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Bromodomain Modulators Library (5801 compounds)

KRAS-Targeted Library (16000 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:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P805-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P805-0658?
Check Price and Availability of P805-0658, 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 P805-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P805-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P805-0658
  • 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 P805-0658 available by request