SB49-1084 Screening compound: 2-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide

SB49-1084 Screening compound: 2-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide
SB49-1084 Screening compound: 2-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB49-1084
2-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-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

SB49-1084

Molecular Formula

C18H27N3O4 (C18 H27 N3 O4)

Compound Name

2-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide

IUPAC name

2-[3-(35-dimethyl-12-oxazol-4-yl)propanoyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide

SMILES

Cc1noc(C)c1CCC(N(CCCC12CCOCC2)C1C(N)=O)=O

InChI

InChI=1S/C18H27N3O4/c1-12-14(13(2)25-20-12)4-5-15(22)21-9-3-6-18(16(21)17(19)23)7-10-24-11-8-18/h16H,3-11H2,1-2H3,(H2,19,23)/t16-/m1/s1

InChI Key

PHBSHPFWKOJCLM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32248062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.260

Distribution Coefficient, logD

0.260

Water Solubility, LogSw

-0.17

Polar Surface Area

79.803

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

SB49-1084 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB49-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB49-1084?
Check Price and Availability of SB49-1084, 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 SB49-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB49-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB49-1084
  • 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 SB49-1084 available by request