T138-0546 Screening compound: 3-(2-methoxyethyl)-1-[1-(oxane-4-carbonyl)piperidin-4-yl]-7-oxa-1,3-diazaspiro[4.4]nonan-2-one

T138-0546 Screening compound: 3-(2-methoxyethyl)-1-[1-(oxane-4-carbonyl)piperidin-4-yl]-7-oxa-1,3-diazaspiro[4.4]nonan-2-one
T138-0546 Screening compound: 3-(2-methoxyethyl)-1-[1-(oxane-4-carbonyl)piperidin-4-yl]-7-oxa-1,3-diazaspiro[4.4]nonan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T138-0546
3-(2-methoxyethyl)-1-[1-(oxane-4-carbonyl)piperidin-4-yl]-7-oxa-1,3-diazaspiro[4.4]nonan-2-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

T138-0546

Molecular Formula

C20H33N3O5 (C20 H33 N3 O5)

Compound Name

3-(2-methoxyethyl)-1-[1-(oxane-4-carbonyl)piperidin-4-yl]-7-oxa-1,3-diazaspiro[4.4]nonan-2-one

IUPAC name

3-(2-methoxyethyl)-1-[1-(oxane-4-carbonyl)piperidin-4-yl]-7-oxa-13-diazaspiro[4.4]nonan-2-one

SMILES

COCCN(CC1(COCC1)N1C(CC2)CCN2C(C2CCOCC2)=O)C1=O

InChI

InChI=1S/C20H33N3O5/c1-26-13-9-22-14-20(6-12-28-15-20)23(19(22)25)17-2-7-21(8-3-17)18(24)16-4-10-27-11-5-16/h16-17H,2-15H2,1H3/t20-/m0/s1

InChI Key

LVRPSBQQRZNTJN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31983833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.896

Distribution Coefficient, logD

0.896

Water Solubility, LogSw

-0.61

Polar Surface Area

60.906

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

90.00

T138-0546 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T138-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T138-0546?
Check Price and Availability of T138-0546, 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 T138-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T138-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T138-0546
  • 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 T138-0546 available by request