S567-0458 Screening compound: 3-cyclopropanecarbonyl-9-[(2,3-dihydro-1H-indol-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol

S567-0458 Screening compound: 3-cyclopropanecarbonyl-9-[(2,3-dihydro-1H-indol-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
S567-0458 Screening compound: 3-cyclopropanecarbonyl-9-[(2,3-dihydro-1H-indol-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S567-0458
3-cyclopropanecarbonyl-9-[(2,3-dihydro-1H-indol-1-yl)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

S567-0458

Molecular Formula

C23H32N2O2 (C23 H32 N2 O2)

Compound Name

3-cyclopropanecarbonyl-9-[(2,3-dihydro-1H-indol-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol

IUPAC name

3-cyclopropanecarbonyl-9-[(23-dihydro-1H-indol-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol

SMILES

OC(CN(CC1)c2c1cccc2)(CC1)CCC1(CC1)CCN1C(C1CC1)=O

InChI

InChI=1S/C23H32N2O2/c26-21(19-5-6-19)24-15-12-22(13-16-24)8-10-23(27,11-9-22)17-25-14-7-18-3-1-2-4-20(18)25/h1-4,19,27H,5-17H2

InChI Key

DOCWDNPOHZYPGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.925

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.17

Polar Surface Area

35.832

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.57

S567-0458 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 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

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 S567-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S567-0458?
Check Price and Availability of S567-0458, 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 S567-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S567-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S567-0458
  • 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 S567-0458 available by request