SB49-0878 Screening compound: 2-(2,4-dimethoxybenzyl)-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide

SB49-0878 Screening compound: 2-(2,4-dimethoxybenzyl)-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide
SB49-0878 Screening compound: 2-(2,4-dimethoxybenzyl)-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB49-0878
2-(2,4-dimethoxybenzyl)-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide

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

SB49-0878

Molecular Formula

C19H28N2O4 (C19 H28 N2 O4)

Compound Name

2-(2,4-dimethoxybenzyl)-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide

IUPAC name

2-[(24-dimethoxyphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide

SMILES

COc1cc(OC)c(CN(CCCC23CCOCC3)C2C(N)=O)cc1

InChI

InChI=1S/C19H28N2O4/c1-23-15-5-4-14(16(12-15)24-2)13-21-9-3-6-19(17(21)18(20)22)7-10-25-11-8-19/h4-5,12,17H,3,6-11,13H2,1-2H3,(H2,20,22)/t17-/m1/s1

InChI Key

VRCXBZAZWLAPGL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32247807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.317

Distribution Coefficient, logD

1.235

Water Solubility, LogSw

-2.07

Polar Surface Area

60.717

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SB49-0878 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SB49-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB49-0878?
Check Price and Availability of SB49-0878, 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 SB49-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB49-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB49-0878
  • 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 SB49-0878 available by request