T651-0346 Screening compound: N~4~-[(1R,5S)-8-(tetrahydro-2H-pyran-4-ylcarbonyl)-8-azabicyclo[3.2.1]oct-3-yl]isonicotinamide

T651-0346 Screening compound: N~4~-[(1R,5S)-8-(tetrahydro-2H-pyran-4-ylcarbonyl)-8-azabicyclo[3.2.1]oct-3-yl]isonicotinamide
T651-0346 Screening compound: N~4~-[(1R,5S)-8-(tetrahydro-2H-pyran-4-ylcarbonyl)-8-azabicyclo[3.2.1]oct-3-yl]isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T651-0346
N~4~-[(1R,5S)-8-(tetrahydro-2H-pyran-4-ylcarbonyl)-8-azabicyclo[3.2.1]oct-3-yl]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

T651-0346

Molecular Formula

C19H25N3O3 (C19 H25 N3 O3)

Compound Name

N~4~-[(1R,5S)-8-(tetrahydro-2H-pyran-4-ylcarbonyl)-8-azabicyclo[3.2.1]oct-3-yl]isonicotinamide

IUPAC name

N-[(1R5S)-8-(oxane-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

SMILES

O=C(C1CCOCC1)N([C@H](CC1)C2)[C@@H]1CC2NC(c1ccncc1)=O

InChI

InChI=1S/C19H25N3O3/c23-18(13-3-7-20-8-4-13)21-15-11-16-1-2-17(12-15)22(16)19(24)14-5-9-25-10-6-14/h3-4,7-8,14-17H,1-2,5-6,9-12H2,(H,21,23)/t16-,17-/m0/s1

InChI Key

XANUICONCPIDCB-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.139

Distribution Coefficient, logD

0.139

Water Solubility, LogSw

-0.72

Polar Surface Area

57.234

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.16

T651-0346 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)

GPCR Targeted Library (31838 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Eye
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
  • Ion Channels
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T651-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T651-0346?
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What is the minimum amount of T651-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T651-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T651-0346
  • 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 T651-0346 available by request