T500-0394 Screening compound: 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

T500-0394 Screening compound: 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
T500-0394 Screening compound: 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T500-0394
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

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

T500-0394

Molecular Formula

C25H30N2O4 (C25 H30 N2 O4)

Compound Name

4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

IUPAC name

4-benzyl-N-(23-dihydro-14-benzodioxin-6-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SMILES

O=C(Nc(cc1)cc2c1OCCO2)N(CC1)CCC11OCCC(Cc2ccccc2)C1

InChI

InChI=1S/C25H30N2O4/c28-24(26-21-6-7-22-23(17-21)30-15-14-29-22)27-11-9-25(10-12-27)18-20(8-13-31-25)16-19-4-2-1-3-5-19/h1-7,17,20H,8-16,18H2,(H,26,28)/t20-/m0/s1

InChI Key

AQNDMVOXYXNLDJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31999040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.561

Distribution Coefficient, logD

3.561

Water Solubility, LogSw

-3.75

Polar Surface Area

47.861

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

T500-0394 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T500-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T500-0394?
Check Price and Availability of T500-0394, 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 T500-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T500-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T500-0394
  • 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 T500-0394 available by request