P592-0780 Screening compound: 1-[4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-yl]-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide

P592-0780 Screening compound: 1-[4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-yl]-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide
P592-0780 Screening compound: 1-[4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-yl]-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P592-0780
1-[4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-yl]-N-[(oxolan-2-yl)methyl]piperidine-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

P592-0780

Molecular Formula

C20H28N6O2 (C20 H28 N6 O2)

Compound Name

1-[4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-yl]-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide

IUPAC name

1-[4-(35-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-yl]-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide

SMILES

Cc1cc(C)nn1-c1ccnc(N(CC2)CCC2C(NCC2OCCC2)=O)n1

InChI

InChI=1S/C20H28N6O2/c1-14-12-15(2)26(24-14)18-5-8-21-20(23-18)25-9-6-16(7-10-25)19(27)22-13-17-4-3-11-28-17/h5,8,12,16-17H,3-4,6-7,9-11,13H2,1-2H3,(H,22,27)/t17-/m1/s1

InChI Key

NLFNJUNXHYUAKK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27605893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.659

Distribution Coefficient, logD

1.659

Water Solubility, LogSw

-1.96

Polar Surface Area

68.024

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

P592-0780 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P592-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P592-0780?
Check Price and Availability of P592-0780, 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 P592-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P592-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P592-0780
  • 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 P592-0780 available by request