SB49-0392 Screening compound: 3-(4-methoxyphenyl)-1-[1-(piperidinocarbonyl)-9-oxa-2-azaspiro[5.5]undec-2-yl]-1-propanone

SB49-0392 Screening compound: 3-(4-methoxyphenyl)-1-[1-(piperidinocarbonyl)-9-oxa-2-azaspiro[5.5]undec-2-yl]-1-propanone
SB49-0392 Screening compound: 3-(4-methoxyphenyl)-1-[1-(piperidinocarbonyl)-9-oxa-2-azaspiro[5.5]undec-2-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB49-0392
3-(4-methoxyphenyl)-1-[1-(piperidinocarbonyl)-9-oxa-2-azaspiro[5.5]undec-2-yl]-1-propanone

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

SB49-0392

Molecular Formula

C25H36N2O4 (C25 H36 N2 O4)

Compound Name

3-(4-methoxyphenyl)-1-[1-(piperidinocarbonyl)-9-oxa-2-azaspiro[5.5]undec-2-yl]-1-propanone

IUPAC name

3-(4-methoxyphenyl)-1-[1-(piperidine-1-carbonyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]propan-1-one

SMILES

COc1ccc(CCC(N(CCCC23CCOCC3)C2C(N2CCCCC2)=O)=O)cc1

InChI

InChI=1S/C25H36N2O4/c1-30-21-9-6-20(7-10-21)8-11-22(28)27-17-5-12-25(13-18-31-19-14-25)23(27)24(29)26-15-3-2-4-16-26/h6-7,9-10,23H,2-5,8,11-19H2,1H3/t23-/m1/s1

InChI Key

CTEYUSVMWKYNOR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD32248004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.823

Distribution Coefficient, logD

2.823

Water Solubility, LogSw

-3.01

Polar Surface Area

47.898

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

SB49-0392 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB49-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB49-0392?
Check Price and Availability of SB49-0392, 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 SB49-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB49-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB49-0392
  • 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 SB49-0392 available by request