5618-0027 Screening compound: 4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

5618-0027 Screening compound: 4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
5618-0027 Screening compound: 4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-0027
4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic 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

5618-0027

Molecular Formula

C23H15F3N2O4 (C23 H15 F3 N2 O4)

Compound Name

4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

IUPAC name

4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-45-dihydro-1H-pyrazol-1-yl]benzoic acid

SMILES

CC(/C(/C1=O)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)=NN1c(cc1)ccc1C(O)=O

InChI

InChI=1S/C23H15F3N2O4/c1-13-19(21(29)28(27-13)17-7-5-14(6-8-17)22(30)31)12-18-9-10-20(32-18)15-3-2-4-16(11-15)23(24,25)26/h2-12H,1H3,(H,30,31)

InChI Key

SFVRJPWNVAZKMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03720878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.333

Distribution Coefficient, logD

2.938

Water Solubility, LogSw

-5.45

Polar Surface Area

61.565

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

5618-0027 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5618-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-0027?
Check Price and Availability of 5618-0027, 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 5618-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-0027
  • 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 5618-0027 available by request