T651-0039 Screening compound: 4-fluoro-N-[8-(oxane-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

T651-0039 Screening compound: 4-fluoro-N-[8-(oxane-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
T651-0039 Screening compound: 4-fluoro-N-[8-(oxane-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T651-0039
4-fluoro-N-[8-(oxane-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

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

T651-0039

Molecular Formula

C20H25FN2O3 (C20 H25 FN2 O3)

Compound Name

4-fluoro-N-[8-(oxane-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

IUPAC name

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

SMILES

O=C(C1CCOCC1)N([C@H](CC1)C2)[C@@H]1CC2NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C20H25FN2O3/c21-15-3-1-13(2-4-15)19(24)22-16-11-17-5-6-18(12-16)23(17)20(25)14-7-9-26-10-8-14/h1-4,14,16-18H,5-12H2,(H,22,24)/t17-,18-/m0/s1

InChI Key

DEJVOKALHHMKAK-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.417

Distribution Coefficient, logD

1.417

Water Solubility, LogSw

-1.95

Polar Surface Area

47.806

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

T651-0039 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)

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 T651-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T651-0039?
Check Price and Availability of T651-0039, 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 T651-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T651-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T651-0039
  • 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 T651-0039 available by request