T138-0558 Screening compound: 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-(2-methoxyethyl)-7-oxa-1,3-diazaspiro[4.4]nonan-2-one

T138-0558 Screening compound: 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-(2-methoxyethyl)-7-oxa-1,3-diazaspiro[4.4]nonan-2-one
T138-0558 Screening compound: 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-(2-methoxyethyl)-7-oxa-1,3-diazaspiro[4.4]nonan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T138-0558
1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-(2-methoxyethyl)-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

T138-0558

Molecular Formula

C21H35N3O4 (C21 H35 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COCCN(CC1(COCC1)N1C(CC2)CCN2C(CC2CCCC2)=O)C1=O

InChI

InChI=1S/C21H35N3O4/c1-27-13-11-23-15-21(8-12-28-16-21)24(20(23)26)18-6-9-22(10-7-18)19(25)14-17-4-2-3-5-17/h17-18H,2-16H2,1H3/t21-/m0/s1

InChI Key

SHHCHGGOLMNPNZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31988515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.965

Distribution Coefficient, logD

1.965

Water Solubility, LogSw

-1.99

Polar Surface Area

52.836

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

90.48

T138-0558 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 T138-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T138-0558?
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What is the minimum amount of T138-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T138-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T138-0558
  • 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 T138-0558 available by request