S567-0464 Screening compound: 1-{9-[(2,3-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-3-azaspiro[5.5]undecan-3-yl}-3-methoxypropan-1-one

S567-0464 Screening compound: 1-{9-[(2,3-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-3-azaspiro[5.5]undecan-3-yl}-3-methoxypropan-1-one
S567-0464 Screening compound: 1-{9-[(2,3-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-3-azaspiro[5.5]undecan-3-yl}-3-methoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S567-0464
1-{9-[(2,3-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-3-azaspiro[5.5]undecan-3-yl}-3-methoxypropan-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

S567-0464

Molecular Formula

C23H34N2O3 (C23 H34 N2 O3)

Compound Name

1-{9-[(2,3-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-3-azaspiro[5.5]undecan-3-yl}-3-methoxypropan-1-one

IUPAC name

1-{9-[(23-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-3-azaspiro[5.5]undecan-3-yl}-3-methoxypropan-1-one

SMILES

COCCC(N1CCC(CC2)(CCC2(CN(CC2)c3c2cccc3)O)CC1)=O

InChI

InChI=1S/C23H34N2O3/c1-28-17-7-21(26)24-15-12-22(13-16-24)8-10-23(27,11-9-22)18-25-14-6-19-4-2-3-5-20(19)25/h2-5,27H,6-18H2,1H3

InChI Key

VPIKZORUQJPBGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.958

Distribution Coefficient, logD

1.955

Water Solubility, LogSw

-2.07

Polar Surface Area

43.396

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.57

S567-0464 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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 S567-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S567-0464?
Check Price and Availability of S567-0464, 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 S567-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S567-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S567-0464
  • 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 S567-0464 available by request