T651-0043 Screening compound: 4-fluoro-N-[8-(1-methyl-1H-imidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

T651-0043 Screening compound: 4-fluoro-N-[8-(1-methyl-1H-imidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
T651-0043 Screening compound: 4-fluoro-N-[8-(1-methyl-1H-imidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T651-0043
4-fluoro-N-[8-(1-methyl-1H-imidazole-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

T651-0043

Molecular Formula

C19H21FN4O2 (C19 H21 FN4 O2)

Compound Name

4-fluoro-N-[8-(1-methyl-1H-imidazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

IUPAC name

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

SMILES

Cn1cnc(C(N([C@H](CC2)C3)[C@@H]2CC3NC(c(cc2)ccc2F)=O)=O)c1

InChI

InChI=1S/C19H21FN4O2/c1-23-10-17(21-11-23)19(26)24-15-6-7-16(24)9-14(8-15)22-18(25)12-2-4-13(20)5-3-12/h2-5,10-11,14-16H,6-9H2,1H3,(H,22,25)/t15-,16-/m0/s1

InChI Key

AWUQAXYYBASMOS-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.610

Distribution Coefficient, logD

0.610

Water Solubility, LogSw

-1.74

Polar Surface Area

52.342

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

T651-0043 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Bromodomain Modulators Library (5801 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T651-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T651-0043?
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What is the minimum amount of T651-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T651-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T651-0043
  • 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 T651-0043 available by request