5510-0282 Screening compound: 4-[(4Z)-4-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

5510-0282 Screening compound: 4-[(4Z)-4-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
5510-0282 Screening compound: 4-[(4Z)-4-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5510-0282
4-[(4Z)-4-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-5-oxo-3-(trifluoromethyl)-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

5510-0282

Molecular Formula

C23H21F3N2O5 (C23 H21 F3 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)COc(ccc(/C=C(/C(C(F)(F)F)=NN1c(cc2)ccc2C(O)=O)\C1=O)c1)c1OC

InChI

InChI=1S/C23H21F3N2O5/c1-13(2)12-33-18-9-4-14(11-19(18)32-3)10-17-20(23(24,25)26)27-28(21(17)29)16-7-5-15(6-8-16)22(30)31/h4-11,13H,12H2,1-3H3,(H,30,31)

InChI Key

XPLWZORFPQLGMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-4.56

Polar Surface Area

70.038

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

5510-0282 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 5510-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5510-0282?
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What is the minimum amount of 5510-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5510-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5510-0282
  • 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 5510-0282 available by request