C226-1048 Screening compound: 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroquinoline

C226-1048 Screening compound: 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroquinoline
C226-1048 Screening compound: 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1048
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroquinoline

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

C226-1048

Molecular Formula

C21H20N2O4 (C21 H20 N2 O4)

Compound Name

1-[5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroquinoline

IUPAC name

1-[5-(34-dimethoxyphenyl)-12-oxazole-3-carbonyl]-1234-tetrahydroquinoline

SMILES

COc(ccc(-c1cc(C(N(CCC2)c3c2cccc3)=O)no1)c1)c1OC

InChI

InChI=1S/C21H20N2O4/c1-25-18-10-9-15(12-20(18)26-2)19-13-16(22-27-19)21(24)23-11-5-7-14-6-3-4-8-17(14)23/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3

InChI Key

CSWBYAVKATVLIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.891

Distribution Coefficient, logD

3.891

Water Solubility, LogSw

-3.98

Polar Surface Area

52.347

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C226-1048 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C226-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1048?
Check Price and Availability of C226-1048, 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 C226-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1048
  • 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 C226-1048 available by request