SA46-0276 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[7-(morpholin-4-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethan-1-one

SA46-0276 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[7-(morpholin-4-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethan-1-one
SA46-0276 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[7-(morpholin-4-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0276
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[7-(morpholin-4-yl)-5-oxa-2-azaspiro[3.4]octan-2-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

SA46-0276

Molecular Formula

C17H26N4O3 (C17 H26 N4 O3)

Compound Name

2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[7-(morpholin-4-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethan-1-one

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-1-[7-(morpholin-4-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethan-1-one

SMILES

Cc1cc(C)nn1CC(N(C1)CC1(C1)OCC1N1CCOCC1)=O

InChI

InChI=1S/C17H26N4O3/c1-13-7-14(2)21(18-13)9-16(22)20-11-17(12-20)8-15(10-24-17)19-3-5-23-6-4-19/h7,15H,3-6,8-12H2,1-2H3/t15-/m1/s1

InChI Key

CECPEQWJELXWHU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32236849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.603

Distribution Coefficient, logD

-0.613

Water Solubility, LogSw

-0.47

Polar Surface Area

49.032

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

SA46-0276 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with SA46-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0276?
Check Price and Availability of SA46-0276, 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 SA46-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0276
  • 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 SA46-0276 available by request