S567-0578 Screening compound: 3-(3-fluoro-4-methylbenzoyl)-9-{[methyl(propyl)amino]methyl}-3-azaspiro[5.5]undecan-9-ol

S567-0578 Screening compound: 3-(3-fluoro-4-methylbenzoyl)-9-{[methyl(propyl)amino]methyl}-3-azaspiro[5.5]undecan-9-ol
S567-0578 Screening compound: 3-(3-fluoro-4-methylbenzoyl)-9-{[methyl(propyl)amino]methyl}-3-azaspiro[5.5]undecan-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S567-0578
3-(3-fluoro-4-methylbenzoyl)-9-{[methyl(propyl)amino]methyl}-3-azaspiro[5.5]undecan-9-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

S567-0578

Molecular Formula

C23H35FN2O2 (C23 H35 FN2 O2)

Compound Name

3-(3-fluoro-4-methylbenzoyl)-9-{[methyl(propyl)amino]methyl}-3-azaspiro[5.5]undecan-9-ol

IUPAC name

3-(3-fluoro-4-methylbenzoyl)-9-{[methyl(propyl)amino]methyl}-3-azaspiro[5.5]undecan-9-ol

SMILES

CCCN(C)CC(CC1)(CCC1(CC1)CCN1C(c1cc(F)c(C)cc1)=O)O

InChI

InChI=1S/C23H35FN2O2/c1-4-13-25(3)17-23(28)9-7-22(8-10-23)11-14-26(15-12-22)21(27)19-6-5-18(2)20(24)16-19/h5-6,16,28H,4,7-15,17H2,1-3H3

InChI Key

AMWXJCOACJKSFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

1.589

Water Solubility, LogSw

-2.82

Polar Surface Area

36.474

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.57

S567-0578 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S567-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S567-0578?
Check Price and Availability of S567-0578, 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 S567-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S567-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S567-0578
  • 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 S567-0578 available by request