C651-0354 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C651-0354 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
C651-0354 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0354
N-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-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

C651-0354

Molecular Formula

C17H13FN2O4 (C17 H13 FN2 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-(2-fluorophenyl)-45-dihydro-12-oxazole-5-carboxamide

SMILES

O=C(C(C1)ON=C1c(cccc1)c1F)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H13FN2O4/c18-12-4-2-1-3-11(12)13-8-16(24-20-13)17(21)19-10-5-6-14-15(7-10)23-9-22-14/h1-7,16H,8-9H2,(H,19,21)/t16-/m1/s1

InChI Key

PCNXKXZFBJSFEX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14779442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.58

Polar Surface Area

63.039

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

C651-0354 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 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:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C651-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0354?
Check Price and Availability of C651-0354, 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 C651-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0354
  • 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 C651-0354 available by request