S034-0961 Screening compound: N-{2-[2-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzamide

S034-0961 Screening compound: N-{2-[2-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzamide
S034-0961 Screening compound: N-{2-[2-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S034-0961
N-{2-[2-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-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

S034-0961

Molecular Formula

C21H19F3N2O3 (C21 H19 F3 N2 O3)

Compound Name

N-{2-[2-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzamide

IUPAC name

N-[(1S4S5S)-2-[2-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzamide

SMILES

O=C(c1ccccc1)N[C@@H](C[C@@H]1C2)[C@@H]2CN1C(c(cccc1)c1OC(F)(F)F)=O

InChI

InChI=1S/C21H19F3N2O3/c22-21(23,24)29-18-9-5-4-8-16(18)20(28)26-12-14-10-15(26)11-17(14)25-19(27)13-6-2-1-3-7-13/h1-9,14-15,17H,10-12H2,(H,25,27)/t14-,15-,17+/m0/s1

InChI Key

CAOTZTHFBYFHSG-YQQAZPJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.30

Polar Surface Area

47.298

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

S034-0961 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S034-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S034-0961?
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What is the minimum amount of S034-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S034-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S034-0961
  • 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 S034-0961 available by request