SA49-0461 Screening compound: 1-(morpholin-4-yl)-2-[2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]ethan-1-one

SA49-0461 Screening compound: 1-(morpholin-4-yl)-2-[2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]ethan-1-one
SA49-0461 Screening compound: 1-(morpholin-4-yl)-2-[2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-0461
1-(morpholin-4-yl)-2-[2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]ethan-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

SA49-0461

Molecular Formula

C22H30N2O5S (C22 H30 N2 O5 S)

Compound Name

1-(morpholin-4-yl)-2-[2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]ethan-1-one

IUPAC name

1-(morpholin-4-yl)-2-[2-(5678-tetrahydronaphthalene-2-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]ethan-1-one

SMILES

O=C(CC1COC(C2)(CN2S(c2cc(CCCC3)c3cc2)(=O)=O)C1)N1CCOCC1

InChI

InChI=1S/C22H30N2O5S/c25-21(23-7-9-28-10-8-23)11-17-13-22(29-14-17)15-24(16-22)30(26,27)20-6-5-18-3-1-2-4-19(18)12-20/h5-6,12,17H,1-4,7-11,13-16H2/t17-/m1/s1

InChI Key

XGKOUZHYGDAZCA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32237691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.547

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-2.91

Polar Surface Area

63.563

Acid Dissociation Constant (pKa)

24.93

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SA49-0461 in Drug Discovery

Included in Screening Libraries

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA49-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-0461?
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What is the minimum amount of SA49-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-0461
  • 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 SA49-0461 available by request