S032-1357 Screening compound: N-{2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl}pyridine-3-carboxamide

S032-1357 Screening compound: N-{2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl}pyridine-3-carboxamide
S032-1357 Screening compound: N-{2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-1357
N-{2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl}pyridine-3-carboxamide

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

S032-1357

Molecular Formula

C20H18F3N3O2 (C20 H18 F3 N3 O2)

Compound Name

N-{2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl}pyridine-3-carboxamide

IUPAC name

N-[(1R4R6S)-2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide

SMILES

O=C(c1cnccc1)N[C@H](C[C@@H](C1)C2)[C@H]1N2C(c1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C20H18F3N3O2/c21-20(22,23)15-6-2-1-5-14(15)19(28)26-11-12-8-16(17(26)9-12)25-18(27)13-4-3-7-24-10-13/h1-7,10,12,16-17H,8-9,11H2,(H,25,27)/t12-,16+,17-/m0/s1

InChI Key

KZIWOTHQKKLPJK-VUCTXSBTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-2.45

Polar Surface Area

50.617

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.00

S032-1357 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S032-1357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-1357?
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What is the minimum amount of S032-1357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-1357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-1357
  • 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 S032-1357 available by request