T500-0211 Screening compound: 4-{4-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile

T500-0211 Screening compound: 4-{4-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
T500-0211 Screening compound: 4-{4-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T500-0211
4-{4-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile

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

T500-0211

Molecular Formula

C24H26N2O2 (C24 H26 N2 O2)

Compound Name

4-{4-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile

IUPAC name

4-{4-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile

SMILES

N#Cc(cc1)ccc1C(N(CC1)CCC11OCCC(Cc2ccccc2)C1)=O

InChI

InChI=1S/C24H26N2O2/c25-18-20-6-8-22(9-7-20)23(27)26-13-11-24(12-14-26)17-21(10-15-28-24)16-19-4-2-1-3-5-19/h1-9,21H,10-17H2/t21-/m0/s1

InChI Key

CAROJTTWWKHJCS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31983032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-4.25

Polar Surface Area

40.273

Acid Dissociation Constant (pKa)

25.49

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

T500-0211 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T500-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T500-0211?
Check Price and Availability of T500-0211, 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 T500-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T500-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T500-0211
  • 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 T500-0211 available by request