T138-0387 Screening compound: 1-(1-cyclopentanecarbonylpiperidin-4-yl)-3-methyl-7-oxa-1,3-diazaspiro[4.4]nonan-2-one

T138-0387 Screening compound: 1-(1-cyclopentanecarbonylpiperidin-4-yl)-3-methyl-7-oxa-1,3-diazaspiro[4.4]nonan-2-one
T138-0387 Screening compound: 1-(1-cyclopentanecarbonylpiperidin-4-yl)-3-methyl-7-oxa-1,3-diazaspiro[4.4]nonan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T138-0387
1-(1-cyclopentanecarbonylpiperidin-4-yl)-3-methyl-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

T138-0387

Molecular Formula

C18H29N3O3 (C18 H29 N3 O3)

Compound Name

1-(1-cyclopentanecarbonylpiperidin-4-yl)-3-methyl-7-oxa-1,3-diazaspiro[4.4]nonan-2-one

IUPAC name

1-(1-cyclopentanecarbonylpiperidin-4-yl)-3-methyl-7-oxa-13-diazaspiro[4.4]nonan-2-one

SMILES

CN(CC1(COCC1)N1C(CC2)CCN2C(C2CCCC2)=O)C1=O

InChI

InChI=1S/C18H29N3O3/c1-19-12-18(8-11-24-13-18)21(17(19)23)15-6-9-20(10-7-15)16(22)14-4-2-3-5-14/h14-15H,2-13H2,1H3/t18-/m0/s1

InChI Key

FEHBKCCOAXLTFX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31993817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.715

Distribution Coefficient, logD

1.715

Water Solubility, LogSw

-1.76

Polar Surface Area

44.758

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

88.89

T138-0387 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 T138-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T138-0387?
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What is the minimum amount of T138-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T138-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T138-0387
  • 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 T138-0387 available by request