T500-0074 Screening compound: 1-oxa-9-azaspiro[5.5]undec-9-yl(1-phenylcyclopropyl)methanone

T500-0074 Screening compound: 1-oxa-9-azaspiro[5.5]undec-9-yl(1-phenylcyclopropyl)methanone
T500-0074 Screening compound: 1-oxa-9-azaspiro[5.5]undec-9-yl(1-phenylcyclopropyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T500-0074
1-oxa-9-azaspiro[5.5]undec-9-yl(1-phenylcyclopropyl)methanone

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

T500-0074

Molecular Formula

C19H25NO2 (C19 H25 NO2)

Compound Name

1-oxa-9-azaspiro[5.5]undec-9-yl(1-phenylcyclopropyl)methanone

IUPAC name

9-(1-phenylcyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecane

SMILES

O=C(C1(CC1)c1ccccc1)N(CC1)CCC11OCCCC1

InChI

InChI=1S/C19H25NO2/c21-17(19(9-10-19)16-6-2-1-3-7-16)20-13-11-18(12-14-20)8-4-5-15-22-18/h1-3,6-7H,4-5,8-15H2

InChI Key

OXIWOMYQCCFOEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30463384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-2.72

Polar Surface Area

23.740

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

T500-0074 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 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

Structure:
  • 3D
  • Fragments
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T500-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T500-0074?
Check Price and Availability of T500-0074, 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 T500-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T500-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T500-0074
  • 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 T500-0074 available by request