C226-1206 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C226-1206 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
C226-1206 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1206
5-(2H-1,3-benzodioxol-5-yl)-N-[3-(trifluoromethyl)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

C226-1206

Molecular Formula

C18H11F3N2O4 (C18 H11 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1noc(-c(cc2)cc3c2OCO3)c1)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C18H11F3N2O4/c19-18(20,21)11-2-1-3-12(7-11)22-17(24)13-8-15(27-23-13)10-4-5-14-16(6-10)26-9-25-14/h1-8H,9H2,(H,22,24)

InChI Key

SGTOVNZSUGOCQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.702

Distribution Coefficient, logD

4.701

Water Solubility, LogSw

-4.80

Polar Surface Area

61.980

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C226-1206 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C226-1206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1206?
Check Price and Availability of C226-1206, 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 C226-1206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1206
  • 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 C226-1206 available by request