SB49-0868 Screening compound: N-phenethyl-9-oxa-2-azaspiro[5.5]undecane-1,2-dicarboxamide

SB49-0868 Screening compound: N-phenethyl-9-oxa-2-azaspiro[5.5]undecane-1,2-dicarboxamide
SB49-0868 Screening compound: N-phenethyl-9-oxa-2-azaspiro[5.5]undecane-1,2-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB49-0868
N-phenethyl-9-oxa-2-azaspiro[5.5]undecane-1,2-dicarboxamide

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

SB49-0868

Molecular Formula

C19H27N3O3 (C19 H27 N3 O3)

Compound Name

N-phenethyl-9-oxa-2-azaspiro[5.5]undecane-1,2-dicarboxamide

IUPAC name

N2-(2-phenylethyl)-9-oxa-2-azaspiro[5.5]undecane-12-dicarboxamide

SMILES

NC(C(C1(CCC2)CCOCC1)N2C(NCCc1ccccc1)=O)=O

InChI

InChI=1S/C19H27N3O3/c20-17(23)16-19(9-13-25-14-10-19)8-4-12-22(16)18(24)21-11-7-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H2,20,23)(H,21,24)/t16-/m1/s1

InChI Key

IIXCSFDCUNXOAU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32247756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.178

Distribution Coefficient, logD

1.178

Water Solubility, LogSw

-1.69

Polar Surface Area

68.277

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SB49-0868 in Drug Discovery

Included in Screening Libraries

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

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 SB49-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB49-0868?
Check Price and Availability of SB49-0868, 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 SB49-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB49-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB49-0868
  • 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 SB49-0868 available by request