S610-0969 Screening compound: 2-[(4-methoxyphenyl)methyl]-1-oxo-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide

S610-0969 Screening compound: 2-[(4-methoxyphenyl)methyl]-1-oxo-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
S610-0969 Screening compound: 2-[(4-methoxyphenyl)methyl]-1-oxo-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S610-0969
2-[(4-methoxyphenyl)methyl]-1-oxo-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-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

S610-0969

Molecular Formula

C23H24F3N3O3 (C23 H24 F3 N3 O3)

Compound Name

2-[(4-methoxyphenyl)methyl]-1-oxo-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide

IUPAC name

2-[(4-methoxyphenyl)methyl]-1-oxo-N-[3-(trifluoromethyl)phenyl]-27-diazaspiro[3.5]nonane-7-carboxamide

SMILES

COc1ccc(CN(CC2(CC3)CCN3C(Nc3cccc(C(F)(F)F)c3)=O)C2=O)cc1

InChI

InChI=1S/C23H24F3N3O3/c1-32-19-7-5-16(6-8-19)14-29-15-22(20(29)30)9-11-28(12-10-22)21(31)27-18-4-2-3-17(13-18)23(24,25)26/h2-8,13H,9-12,14-15H2,1H3,(H,27,31)

InChI Key

KQGGGWXDSFOICG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-4.08

Polar Surface Area

49.863

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

S610-0969 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S610-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S610-0969?
Check Price and Availability of S610-0969, 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 S610-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S610-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S610-0969
  • 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 S610-0969 available by request