C226-1217 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide

C226-1217 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
C226-1217 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1217
5-(2H-1,3-benzodioxol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-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

C226-1217

Molecular Formula

C18H11F3N2O5 (C18 H11 F3 N2 O5)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)cc3c2OCO3)c1)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C18H11F3N2O5/c19-18(20,21)27-12-4-2-11(3-5-12)22-17(24)13-8-15(28-23-13)10-1-6-14-16(7-10)26-9-25-14/h1-8H,9H2,(H,22,24)

InChI Key

ZDZDRARWKLLUCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.850

Distribution Coefficient, logD

4.850

Water Solubility, LogSw

-4.92

Polar Surface Area

67.917

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C226-1217 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C226-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1217?
Check Price and Availability of C226-1217, 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 C226-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1217
  • 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 C226-1217 available by request