S035-0871 Screening compound: N-{2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-sulfonamide

S035-0871 Screening compound: N-{2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-sulfonamide
S035-0871 Screening compound: N-{2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-0871
N-{2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-sulfonamide

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

S035-0871

Molecular Formula

C19H18F3N3O4S (C19 H18 F3 N3 O4 S)

Compound Name

N-{2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-sulfonamide

IUPAC name

N-[(1S4S5S)-2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide

SMILES

O=C(c(cc1)ccc1OC(F)(F)F)N(C[C@@H]1C2)[C@@H]2C[C@@H]1NS(c1cnccc1)(=O)=O

InChI

InChI=1S/C19H18F3N3O4S/c20-19(21,22)29-15-5-3-12(4-6-15)18(26)25-11-13-8-14(25)9-17(13)24-30(27,28)16-2-1-7-23-10-16/h1-7,10,13-14,17,24H,8-9,11H2/t13-,14-,17-/m0/s1

InChI Key

BUOWKUHDDWDJIN-ZQIUZPCESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.986

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-3.37

Polar Surface Area

74.288

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.80

S035-0871 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)

SmartTM Library (51161 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 S035-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-0871?
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What is the minimum amount of S035-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-0871
  • 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 S035-0871 available by request