E475-0447 Screening compound: N,8-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

E475-0447 Screening compound: N,8-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
E475-0447 Screening compound: N,8-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E475-0447
N,8-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][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

E475-0447

Molecular Formula

C20H15F3N2O3 (C20 H15 F3 N2 O3)

Compound Name

N,8-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

IUPAC name

N8-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[34-d][12]oxazole-3-carboxamide

SMILES

Cc(cc1)cc-2c1OCc1c2onc1C(N(C)c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C20H15F3N2O3/c1-11-6-7-16-14(8-11)18-15(10-27-16)17(24-28-18)19(26)25(2)13-5-3-4-12(9-13)20(21,22)23/h3-9H,10H2,1-2H3

InChI Key

DSOJDRGNOIWLDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.57

Polar Surface Area

46.138

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E475-0447 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E475-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E475-0447?
Check Price and Availability of E475-0447, 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 E475-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E475-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E475-0447
  • 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 E475-0447 available by request