C226-3951 Screening compound: N-(1,3-benzodioxol-5-yl)-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide

C226-3951 Screening compound: N-(1,3-benzodioxol-5-yl)-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide
C226-3951 Screening compound: N-(1,3-benzodioxol-5-yl)-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3951
N-(1,3-benzodioxol-5-yl)-4,5-dihydronaphtho[2,1-d]isoxazole-3-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

C226-3951

Molecular Formula

C19H14N2O4 (C19 H14 N2 O4)

Compound Name

N-(1,3-benzodioxol-5-yl)-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4H5H-naphtho[21-d][12]oxazole-3-carboxamide

SMILES

O=C(c1noc-2c1CCc1c2cccc1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H14N2O4/c22-19(20-12-6-8-15-16(9-12)24-10-23-15)17-14-7-5-11-3-1-2-4-13(11)18(14)25-21-17/h1-4,6,8-9H,5,7,10H2,(H,20,22)

InChI Key

FORHGIFFVMVYEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.011

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.35

Polar Surface Area

62.526

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

C226-3951 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C226-3951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3951?
Check Price and Availability of C226-3951, 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 C226-3951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3951
  • 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 C226-3951 available by request