8015-8550 Screening compound: (E)-4-oxo-4-[4-(trifluoromethoxy)anilino]-2-butenoic acid

8015-8550 Screening compound: (E)-4-oxo-4-[4-(trifluoromethoxy)anilino]-2-butenoic acid
8015-8550 Screening compound: (E)-4-oxo-4-[4-(trifluoromethoxy)anilino]-2-butenoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8550
(E)-4-oxo-4-[4-(trifluoromethoxy)anilino]-2-butenoic acid

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

8015-8550

Molecular Formula

C11H8F3NO4 (C11 H8 F3 NO4)

Compound Name

(E)-4-oxo-4-[4-(trifluoromethoxy)anilino]-2-butenoic acid

IUPAC name

(2E)-3-{[4-(trifluoromethoxy)phenyl]carbamoyl}prop-2-enoic acid

SMILES

OC(/C=C/C(Nc(cc1)ccc1OC(F)(F)F)=O)=O

InChI

InChI=1S/C11H8F3NO4/c12-11(13,14)19-8-3-1-7(2-4-8)15-9(16)5-6-10(17)18/h1-6H,(H,15,16)(H,17,18)

InChI Key

VPHLVPQYMNKATK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00169478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

-1.733

Water Solubility, LogSw

-3.34

Polar Surface Area

57.708

Acid Dissociation Constant (pKa)

3.13

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

8015-8550 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

KRAS-Targeted Library (16000 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-8550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8550?
Check Price and Availability of 8015-8550, 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 8015-8550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8550
  • 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 8015-8550 available by request