SA90-0194 Screening compound: 1'-(isoxazol-3-ylcarbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidine]

SA90-0194 Screening compound: 1'-(isoxazol-3-ylcarbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidine]
SA90-0194 Screening compound: 1'-(isoxazol-3-ylcarbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidine] alternative view

Chemical Structure Depiction of ChemDiv screening compound SA90-0194
1'-(isoxazol-3-ylcarbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidine]

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

SA90-0194

Molecular Formula

C23H27N3O5 (C23 H27 N3 O5)

Compound Name

1'-(isoxazol-3-ylcarbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidine]

IUPAC name

1-(morpholin-4-yl)-2-[1'-(12-oxazole-3-carbonyl)-34-dihydrospiro[2-benzopyran-14'-piperidin]-3-yl]ethan-1-one

SMILES

O=C(CC(C1)OC(CC2)(CCN2C(c2nocc2)=O)c2c1cccc2)N1CCOCC1

InChI

InChI=1S/C23H27N3O5/c27-21(25-10-13-29-14-11-25)16-18-15-17-3-1-2-4-19(17)23(31-18)6-8-26(9-7-23)22(28)20-5-12-30-24-20/h1-5,12,18H,6-11,13-16H2/t18-/m1/s1

InChI Key

XSHZJUZOQNWQRC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32241424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.407

Distribution Coefficient, logD

1.407

Water Solubility, LogSw

-2.03

Polar Surface Area

69.362

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

SA90-0194 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA90-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA90-0194?
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What is the minimum amount of SA90-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA90-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA90-0194
  • 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 SA90-0194 available by request