SA57-0076 Screening compound: 2-ethoxy-1-[4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethan-1-one

SA57-0076 Screening compound: 2-ethoxy-1-[4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethan-1-one
SA57-0076 Screening compound: 2-ethoxy-1-[4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA57-0076
2-ethoxy-1-[4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecan-9-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

SA57-0076

Molecular Formula

C17H25N3O4 (C17 H25 N3 O4)

Compound Name

2-ethoxy-1-[4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethan-1-one

IUPAC name

2-ethoxy-1-[4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethan-1-one

SMILES

CCOCC(N(CC1)CCC1(C1)OCCC1Oc1ncccn1)=O

InChI

InChI=1S/C17H25N3O4/c1-2-22-13-15(21)20-9-5-17(6-10-20)12-14(4-11-23-17)24-16-18-7-3-8-19-16/h3,7-8,14H,2,4-6,9-13H2,1H3/t14-/m1/s1

InChI Key

QIRHLWBZUOUEFM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32002427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.129

Distribution Coefficient, logD

0.129

Water Solubility, LogSw

-0.78

Polar Surface Area

56.789

Acid Dissociation Constant (pKa)

21.92

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

SA57-0076 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA57-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA57-0076?
Check Price and Availability of SA57-0076, 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 SA57-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA57-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA57-0076
  • 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 SA57-0076 available by request