J104-0074 Screening compound: 2'-(2-methoxyethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1'-oxo-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide

J104-0074 Screening compound: 2'-(2-methoxyethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1'-oxo-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
J104-0074 Screening compound: 2'-(2-methoxyethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1'-oxo-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J104-0074
2'-(2-methoxyethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1'-oxo-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-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

J104-0074

Molecular Formula

C22H28N4O4S (C22 H28 N4 O4 S)

Compound Name

2'-(2-methoxyethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1'-oxo-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide

IUPAC name

2'-(2-methoxyethyl)-N-[5-(methoxymethyl)-134-thiadiazol-2-yl]-1'-oxo-2'4'-dihydro-1'H-spiro[cyclohexane-13'-isoquinoline]-4'-carboxamide

SMILES

COCCN(C1(CCCCC1)C(C(Nc1nnc(COC)s1)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C22H28N4O4S/c1-29-13-12-26-20(28)16-9-5-4-8-15(16)18(22(26)10-6-3-7-11-22)19(27)23-21-25-24-17(31-21)14-30-2/h4-5,8-9,18H,3,6-7,10-14H2,1-2H3,(H,23,25,27)/t18-/m1/s1

InChI Key

JMXTXUOQYDYQFO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD28557882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.903

Distribution Coefficient, logD

2.200

Water Solubility, LogSw

-3.55

Polar Surface Area

79.777

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

J104-0074 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 J104-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J104-0074?
Check Price and Availability of J104-0074, 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 J104-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J104-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J104-0074
  • 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 J104-0074 available by request