P801-0616 Screening compound: N-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYL-6-(3-PHENYLPIPERAZINO)NICOTINAMIDE

P801-0616 Screening compound: N-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYL-6-(3-PHENYLPIPERAZINO)NICOTINAMIDE
P801-0616 Screening compound: N-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYL-6-(3-PHENYLPIPERAZINO)NICOTINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0616
N-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYL-6-(3-PHENYLPIPERAZINO)NICOTINAMIDE

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

P801-0616

Molecular Formula

C23H28N6O (C23 H28 N6 O)

Compound Name

N-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYL-6-(3-PHENYLPIPERAZINO)NICOTINAMIDE

IUPAC name

n/a

SMILES

Cc1nn(C)cc1CN(C)C(c(cc1)cnc1N1CC(c2ccccc2)NCC1)=O

InChI

InChI=1S/C23H28N6O/c1-17-20(15-28(3)26-17)14-27(2)23(30)19-9-10-22(25-13-19)29-12-11-24-21(16-29)18-7-5-4-6-8-18/h4-10,13,15,21,24H,11-12,14,16H2,1-3H3/t21-/m0/s1

InChI Key

LQRYDVVTRZXEOE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27615303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.327

Distribution Coefficient, logD

0.779

Water Solubility, LogSw

-1.90

Polar Surface Area

55.379

Acid Dissociation Constant (pKa)

23.22

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

P801-0616 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 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 P801-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0616?
Check Price and Availability of P801-0616, 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 P801-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0616
  • 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 P801-0616 available by request