8015-2317 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole

8015-2317 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole
8015-2317 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2317
2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole

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

8015-2317

Molecular Formula

C13H12F3NO4 (C13 H12 F3 NO4)

Compound Name

2-(3,4-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole

IUPAC name

2-(34-dimethoxyphenyl)-5-methoxy-4-(trifluoromethyl)-13-oxazole

SMILES

COc1c(C(F)(F)F)nc(-c(cc2)cc(OC)c2OC)o1

InChI

InChI=1S/C13H12F3NO4/c1-18-8-5-4-7(6-9(8)19-2)11-17-10(13(14,15)16)12(20-3)21-11/h4-6H,1-3H3

InChI Key

PWZPYUCCMMJXMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.663

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-2.93

Polar Surface Area

41.283

Acid Dissociation Constant (pKa)

32.26

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8015-2317 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-2317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2317?
Check Price and Availability of 8015-2317, 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 8015-2317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2317
  • 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 8015-2317 available by request