SA49-0430 Screening compound: 2-[2-(3-methoxybenzenesulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-1-(morpholin-4-yl)ethan-1-one

SA49-0430 Screening compound: 2-[2-(3-methoxybenzenesulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-1-(morpholin-4-yl)ethan-1-one
SA49-0430 Screening compound: 2-[2-(3-methoxybenzenesulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-0430
2-[2-(3-methoxybenzenesulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-1-(morpholin-4-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

SA49-0430

Molecular Formula

C19H26N2O6S (C19 H26 N2 O6 S)

Compound Name

2-[2-(3-methoxybenzenesulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-[2-(3-methoxybenzenesulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-1-(morpholin-4-yl)ethan-1-one

SMILES

COc1cccc(S(N(C2)CC22OCC(CC(N3CCOCC3)=O)C2)(=O)=O)c1

InChI

InChI=1S/C19H26N2O6S/c1-25-16-3-2-4-17(10-16)28(23,24)21-13-19(14-21)11-15(12-27-19)9-18(22)20-5-7-26-8-6-20/h2-4,10,15H,5-9,11-14H2,1H3/t15-/m1/s1

InChI Key

KMHKOVFNXVMTTL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32237579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.185

Distribution Coefficient, logD

1.185

Water Solubility, LogSw

-2.49

Polar Surface Area

71.186

Acid Dissociation Constant (pKa)

24.93

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SA49-0430 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 SA49-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-0430?
Check Price and Availability of SA49-0430, 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 SA49-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-0430
  • 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 SA49-0430 available by request