C226-4009 Screening compound: 1-{7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carbonyl}azepane

C226-4009 Screening compound: 1-{7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carbonyl}azepane
C226-4009 Screening compound: 1-{7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4009
1-{7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carbonyl}azepane

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

C226-4009

Molecular Formula

C19H22N2O3 (C19 H22 N2 O3)

Compound Name

1-{7-methoxy-4H,5H-naphtho[2,1-d][1,2]oxazole-3-carbonyl}azepane

IUPAC name

1-{7-methoxy-4H5H-naphtho[21-d][12]oxazole-3-carbonyl}azepane

SMILES

COc(cc1)cc(CC2)c1-c1c2c(C(N2CCCCCC2)=O)no1

InChI

InChI=1S/C19H22N2O3/c1-23-14-7-9-15-13(12-14)6-8-16-17(20-24-18(15)16)19(22)21-10-4-2-3-5-11-21/h7,9,12H,2-6,8,10-11H2,1H3

InChI Key

WVWVJNQGPSJDHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-4.05

Polar Surface Area

46.842

Acid Dissociation Constant (pKa)

19.31

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

C226-4009 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C226-4009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4009?
Check Price and Availability of C226-4009, 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 C226-4009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4009
  • 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 C226-4009 available by request