S034-1788 Screening compound: N-{2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}thiophene-2-carboxamide

S034-1788 Screening compound: N-{2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}thiophene-2-carboxamide
S034-1788 Screening compound: N-{2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S034-1788
N-{2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}thiophene-2-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

S034-1788

Molecular Formula

C19H17F3N2O3S (C19 H17 F3 N2 O3 S)

Compound Name

N-{2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl}thiophene-2-carboxamide

IUPAC name

N-[(1S4S5S)-2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide

SMILES

O=C(c1cccs1)N[C@@H](C[C@@H]1C2)[C@@H]2CN1C(c(cc1)ccc1OC(F)(F)F)=O

InChI

InChI=1S/C19H17F3N2O3S/c20-19(21,22)27-14-5-3-11(4-6-14)18(26)24-10-12-8-13(24)9-15(12)23-17(25)16-2-1-7-28-16/h1-7,12-13,15H,8-10H2,(H,23,25)/t12-,13-,15-/m0/s1

InChI Key

OWISHBDXUMQMLR-YDHLFZDLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.42

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

3.866

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-4.19

Polar Surface Area

48.230

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.80

S034-1788 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
  • 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 S034-1788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S034-1788?
Check Price and Availability of S034-1788, 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 S034-1788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S034-1788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S034-1788
  • 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 S034-1788 available by request