C651-0112 Screening compound: 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C651-0112 Screening compound: 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
C651-0112 Screening compound: 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0112
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-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

C651-0112

Molecular Formula

C20H22N2O6 (C20 H22 N2 O6)

Compound Name

3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

IUPAC name

3-(3-methoxyphenyl)-N-(345-trimethoxyphenyl)-45-dihydro-12-oxazole-5-carboxamide

SMILES

COc1cccc(C(C2)=NOC2C(Nc(cc2OC)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C20H22N2O6/c1-24-14-7-5-6-12(8-14)15-11-18(28-22-15)20(23)21-13-9-16(25-2)19(27-4)17(10-13)26-3/h5-10,18H,11H2,1-4H3,(H,21,23)/t18-/m0/s1

InChI Key

NGCBEKFBQMYJMY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08106224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

2.609

Water Solubility, LogSw

-3.21

Polar Surface Area

76.445

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C651-0112 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C651-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0112?
Check Price and Availability of C651-0112, 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 C651-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0112
  • 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 C651-0112 available by request