SA49-0452 Screening compound: 2-[2-(1-methyl-1H-pyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-1-(morpholin-4-yl)ethan-1-one

SA49-0452 Screening compound: 2-[2-(1-methyl-1H-pyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-1-(morpholin-4-yl)ethan-1-one
SA49-0452 Screening compound: 2-[2-(1-methyl-1H-pyrrole-2-carbonyl)-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 SA49-0452
2-[2-(1-methyl-1H-pyrrole-2-carbonyl)-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

SA49-0452

Molecular Formula

C18H25N3O4 (C18 H25 N3 O4)

Compound Name

2-[2-(1-methyl-1H-pyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-[2-(1-methyl-1H-pyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-1-(morpholin-4-yl)ethan-1-one

SMILES

Cn1c(C(N(C2)CC22OCC(CC(N3CCOCC3)=O)C2)=O)ccc1

InChI

InChI=1S/C18H25N3O4/c1-19-4-2-3-15(19)17(23)21-12-18(13-21)10-14(11-25-18)9-16(22)20-5-7-24-8-6-20/h2-4,14H,5-13H2,1H3/t14-/m1/s1

InChI Key

MBLUCWASNBKAAM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32237685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.022

Distribution Coefficient, logD

1.022

Water Solubility, LogSw

-1.79

Polar Surface Area

50.997

Acid Dissociation Constant (pKa)

24.93

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SA49-0452 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 SA49-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-0452?
Check Price and Availability of SA49-0452, 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 SA49-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-0452
  • 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 SA49-0452 available by request