S971-0547 Screening compound: 7-{5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl}-7-azaspiro[3.5]nonan-1-ol

S971-0547 Screening compound: 7-{5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl}-7-azaspiro[3.5]nonan-1-ol
S971-0547 Screening compound: 7-{5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl}-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0547
7-{5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl}-7-azaspiro[3.5]nonan-1-ol

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

S971-0547

Molecular Formula

C19H19F3N2O3 (C19 H19 F3 N2 O3)

Compound Name

7-{5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl}-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-{5-[3-(trifluoromethyl)phenyl]-13-oxazole-4-carbonyl}-7-azaspiro[3.5]nonan-1-ol

SMILES

OC(CC1)C1(CC1)CCN1C(c1c(-c2cccc(C(F)(F)F)c2)ocn1)=O

InChI

InChI=1S/C19H19F3N2O3/c20-19(21,22)13-3-1-2-12(10-13)16-15(23-11-27-16)17(26)24-8-6-18(7-9-24)5-4-14(18)25/h1-3,10-11,14,25H,4-9H2/t14-/m0/s1

InChI Key

FTBWIGSSJOQXKB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32231772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.325

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-2.59

Polar Surface Area

51.590

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S971-0547 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S971-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0547?
Check Price and Availability of S971-0547, 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 S971-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0547
  • 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 S971-0547 available by request