S034-0976 Screening compound: N-((1S,4S,5S)-2-{2-[4-(trifluoromethoxy)phenyl]acetyl}-2-azabicyclo[2.2.1]hept-5-yl)benzamide

S034-0976 Screening compound: N-((1S,4S,5S)-2-{2-[4-(trifluoromethoxy)phenyl]acetyl}-2-azabicyclo[2.2.1]hept-5-yl)benzamide
S034-0976 Screening compound: N-((1S,4S,5S)-2-{2-[4-(trifluoromethoxy)phenyl]acetyl}-2-azabicyclo[2.2.1]hept-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S034-0976
N-((1S,4S,5S)-2-{2-[4-(trifluoromethoxy)phenyl]acetyl}-2-azabicyclo[2.2.1]hept-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

S034-0976

Molecular Formula

C22H21F3N2O3 (C22 H21 F3 N2 O3)

Compound Name

N-((1S,4S,5S)-2-{2-[4-(trifluoromethoxy)phenyl]acetyl}-2-azabicyclo[2.2.1]hept-5-yl)benzamide

IUPAC name

N-[(1S4S5S)-2-{2-[4-(trifluoromethoxy)phenyl]acetyl}-2-azabicyclo[2.2.1]heptan-5-yl]benzamide

SMILES

O=C(Cc(cc1)ccc1OC(F)(F)F)N(C[C@@H]1C2)[C@@H]2C[C@@H]1NC(c1ccccc1)=O

InChI

InChI=1S/C22H21F3N2O3/c23-22(24,25)30-18-8-6-14(7-9-18)10-20(28)27-13-16-11-17(27)12-19(16)26-21(29)15-4-2-1-3-5-15/h1-9,16-17,19H,10-13H2,(H,26,29)/t16-,17-,19+/m0/s1

InChI Key

TUWYHADMWRDMJL-JENIJYKNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-4.19

Polar Surface Area

46.684

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.36

S034-0976 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S034-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S034-0976?
Check Price and Availability of S034-0976, 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 S034-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S034-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S034-0976
  • 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 S034-0976 available by request