P801-0314 Screening compound: 2-(3-phenylpiperazino)-N-(2-thienylmethyl)isonicotinamide

P801-0314 Screening compound: 2-(3-phenylpiperazino)-N-(2-thienylmethyl)isonicotinamide
P801-0314 Screening compound: 2-(3-phenylpiperazino)-N-(2-thienylmethyl)isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0314
2-(3-phenylpiperazino)-N-(2-thienylmethyl)isonicotinamide

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

P801-0314

Molecular Formula

C21H22N4OS (C21 H22 N4 OS)

Compound Name

2-(3-phenylpiperazino)-N-(2-thienylmethyl)isonicotinamide

IUPAC name

2-(3-phenylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]pyridine-4-carboxamide

SMILES

O=C(c1cc(N2CC(c3ccccc3)NCC2)ncc1)NCc1cccs1

InChI

InChI=1S/C21H22N4OS/c26-21(24-14-18-7-4-12-27-18)17-8-9-23-20(13-17)25-11-10-22-19(15-25)16-5-2-1-3-6-16/h1-9,12-13,19,22H,10-11,14-15H2,(H,24,26)/t19-/m0/s1

InChI Key

JIGFBYWFCWCBAU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29025278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.877

Distribution Coefficient, logD

2.329

Water Solubility, LogSw

-3.35

Polar Surface Area

49.408

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

P801-0314 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P801-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0314?
Check Price and Availability of P801-0314, 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 P801-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0314
  • 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 P801-0314 available by request