J105-0143 Screening compound: 2'-(2-methoxyethyl)-4'-(thiomorpholine-4-carbonyl)-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-one

J105-0143 Screening compound: 2'-(2-methoxyethyl)-4'-(thiomorpholine-4-carbonyl)-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-one
J105-0143 Screening compound: 2'-(2-methoxyethyl)-4'-(thiomorpholine-4-carbonyl)-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J105-0143
2'-(2-methoxyethyl)-4'-(thiomorpholine-4-carbonyl)-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-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

J105-0143

Molecular Formula

C21H28N2O3S (C21 H28 N2 O3 S)

Compound Name

2'-(2-methoxyethyl)-4'-(thiomorpholine-4-carbonyl)-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-one

IUPAC name

2'-(2-methoxyethyl)-4'-(thiomorpholine-4-carbonyl)-2'4'-dihydro-1'H-spiro[cyclopentane-13'-isoquinolin]-1'-one

SMILES

COCCN(C1(CCCC1)C(C(N1CCSCC1)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C21H28N2O3S/c1-26-13-10-23-19(24)17-7-3-2-6-16(17)18(21(23)8-4-5-9-21)20(25)22-11-14-27-15-12-22/h2-3,6-7,18H,4-5,8-15H2,1H3/t18-/m1/s1

InChI Key

CMBAJZIUZVIBCT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD20503301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.76

Polar Surface Area

41.236

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

J105-0143 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J105-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J105-0143?
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What is the minimum amount of J105-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J105-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J105-0143
  • 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 J105-0143 available by request