C651-0865 Screening compound: N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C651-0865 Screening compound: N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
C651-0865 Screening compound: N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0865
N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-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

C651-0865

Molecular Formula

C18H16F2N2O4 (C18 H16 F2 N2 O4)

Compound Name

N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

IUPAC name

N-(24-difluorophenyl)-3-(34-dimethoxyphenyl)-45-dihydro-12-oxazole-5-carboxamide

SMILES

COc(ccc(C(C1)=NOC1C(Nc(ccc(F)c1)c1F)=O)c1)c1OC

InChI

InChI=1S/C18H16F2N2O4/c1-24-15-6-3-10(7-16(15)25-2)14-9-17(26-22-14)18(23)21-13-5-4-11(19)8-12(13)20/h3-8,17H,9H2,1-2H3,(H,21,23)/t17-/m0/s1

InChI Key

ZQKYGXJQYTYFLO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14779496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.007

Distribution Coefficient, logD

2.958

Water Solubility, LogSw

-3.36

Polar Surface Area

60.486

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C651-0865 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C651-0865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0865?
Check Price and Availability of C651-0865, 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 C651-0865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0865
  • 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 C651-0865 available by request