C205-0072 Screening compound: 4-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

C205-0072 Screening compound: 4-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
C205-0072 Screening compound: 4-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C205-0072
4-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-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

C205-0072

Molecular Formula

C19H24N2O5 (C19 H24 N2 O5)

Compound Name

4-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-(3-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)-6-methyl-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc(cc1)cc(N2CCC(N(CC3)CCC33OCCO3)=O)c1OCC2=O

InChI

InChI=1S/C19H24N2O5/c1-14-2-3-16-15(12-14)21(18(23)13-24-16)7-4-17(22)20-8-5-19(6-9-20)25-10-11-26-19/h2-3,12H,4-11,13H2,1H3

InChI Key

AIEFDSNRIUKSTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

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

0.738

Distribution Coefficient, logD

0.738

Water Solubility, LogSw

-1.53

Polar Surface Area

54.876

Acid Dissociation Constant (pKa)

20.82

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

C205-0072 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C205-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C205-0072?
Check Price and Availability of C205-0072, 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 C205-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C205-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C205-0072
  • 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 C205-0072 available by request