5618-0077 Screening compound: propyl 4-[(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate

5618-0077 Screening compound: propyl 4-[(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
5618-0077 Screening compound: propyl 4-[(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-0077
propyl 4-[(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate

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

5618-0077

Molecular Formula

C24H23F3N2O5 (C24 H23 F3 N2 O5)

Compound Name

propyl 4-[(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate

IUPAC name

propyl 4-[(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]benzoate

SMILES

CCCOC(c(cc1)ccc1N(C1=O)N=C(C(F)(F)F)/C1=C/c(cc1)cc(OC)c1OCC)=O

InChI

InChI=1S/C24H23F3N2O5/c1-4-12-34-23(31)16-7-9-17(10-8-16)29-22(30)18(21(28-29)24(25,26)27)13-15-6-11-19(33-5-2)20(14-15)32-3/h6-11,13-14H,4-5,12H2,1-3H3

InChI Key

XDDCMKQSWJESHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-5.03

Polar Surface Area

62.302

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 5618-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-0077?
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What is the minimum amount of 5618-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-0077
  • 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 5618-0077 available by request