SA46-0586 Screening compound: 3-{2-oxo-2-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one

SA46-0586 Screening compound: 3-{2-oxo-2-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one
SA46-0586 Screening compound: 3-{2-oxo-2-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0586
3-{2-oxo-2-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-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

SA46-0586

Molecular Formula

C20H25N3O4 (C20 H25 N3 O4)

Compound Name

3-{2-oxo-2-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-{2-oxo-2-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethyl}-23-dihydro-13-benzoxazol-2-one

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)N(C1)CC1(C1)OCC1N1CCCCC1

InChI

InChI=1S/C20H25N3O4/c24-18(11-23-16-6-2-3-7-17(16)27-19(23)25)22-13-20(14-22)10-15(12-26-20)21-8-4-1-5-9-21/h2-3,6-7,15H,1,4-5,8-14H2/t15-/m1/s1

InChI Key

PTLUOHLYHYGPGW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32236584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.378

Distribution Coefficient, logD

0.520

Water Solubility, LogSw

-1.93

Polar Surface Area

50.217

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

SA46-0586 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with SA46-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0586?
Check Price and Availability of SA46-0586, 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 SA46-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0586
  • 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 SA46-0586 available by request