M566-0822 Screening compound: N~1~-(3,5-difluorophenyl)-4-(4-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)tetrahydro-1(2H)-pyridinecarboxamide

M566-0822 Screening compound: N~1~-(3,5-difluorophenyl)-4-(4-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)tetrahydro-1(2H)-pyridinecarboxamide
M566-0822 Screening compound: N~1~-(3,5-difluorophenyl)-4-(4-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M566-0822
N~1~-(3,5-difluorophenyl)-4-(4-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)tetrahydro-1(2H)-pyridinecarboxamide

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

M566-0822

Molecular Formula

C19H19F2N5O2 (C19 H19 F2 N5 O2)

Compound Name

N~1~-(3,5-difluorophenyl)-4-(4-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(35-difluorophenyl)-4-{4-methyl-7-oxo-4H7H-pyrazolo[15-a]pyrimidin-5-yl}piperidine-1-carboxamide

SMILES

CN(c1ccnn11)C(C(CC2)CCN2C(Nc2cc(F)cc(F)c2)=O)=CC1=O

InChI

InChI=1S/C19H19F2N5O2/c1-24-16(11-18(27)26-17(24)2-5-22-26)12-3-6-25(7-4-12)19(28)23-15-9-13(20)8-14(21)10-15/h2,5,8-12H,3-4,6-7H2,1H3,(H,23,28)

InChI Key

UIWLXIATIQBJHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27547355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.624

Distribution Coefficient, logD

2.624

Water Solubility, LogSw

-3.07

Polar Surface Area

53.055

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

M566-0822 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 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 M566-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M566-0822?
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What is the minimum amount of M566-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M566-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M566-0822
  • 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 M566-0822 available by request