S567-0411 Screening compound: 1-{9-hydroxy-9-[(4-methylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl}-3-(3-methoxyphenyl)propan-1-one

S567-0411 Screening compound: 1-{9-hydroxy-9-[(4-methylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl}-3-(3-methoxyphenyl)propan-1-one
S567-0411 Screening compound: 1-{9-hydroxy-9-[(4-methylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl}-3-(3-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S567-0411
1-{9-hydroxy-9-[(4-methylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl}-3-(3-methoxyphenyl)propan-1-one

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

S567-0411

Molecular Formula

C26H41N3O3 (C26 H41 N3 O3)

Compound Name

1-{9-hydroxy-9-[(4-methylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl}-3-(3-methoxyphenyl)propan-1-one

IUPAC name

1-{9-hydroxy-9-[(4-methylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl}-3-(3-methoxyphenyl)propan-1-one

SMILES

CN1CCN(CC(CC2)(CCC2(CC2)CCN2C(CCc2cc(OC)ccc2)=O)O)CC1

InChI

InChI=1S/C26H41N3O3/c1-27-16-18-28(19-17-27)21-26(31)10-8-25(9-11-26)12-14-29(15-13-25)24(30)7-6-22-4-3-5-23(20-22)32-2/h3-5,20,31H,6-19,21H2,1-2H3

InChI Key

LAOCRRAXGBAPIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.812

Distribution Coefficient, logD

0.745

Water Solubility, LogSw

-1.92

Polar Surface Area

46.606

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.08

S567-0411 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S567-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S567-0411?
Check Price and Availability of S567-0411, 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 S567-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S567-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S567-0411
  • 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 S567-0411 available by request