5784-0056 Screening compound: (4E)-4-({5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one

5784-0056 Screening compound: (4E)-4-({5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one
5784-0056 Screening compound: (4E)-4-({5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5784-0056
(4E)-4-({5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one

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

5784-0056

Molecular Formula

C24H18ClF3N2O2 (C24 H18 ClF3 N2 O2)

Compound Name

(4E)-4-({5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-4-({5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1-phenyl-3-propyl-45-dihydro-1H-pyrazol-5-one

SMILES

CCCC(/C(/C1=O)=C\c2ccc(-c(cc3)cc(C(F)(F)F)c3Cl)o2)=NN1c1ccccc1

InChI

InChI=1S/C24H18ClF3N2O2/c1-2-6-21-18(23(31)30(29-21)16-7-4-3-5-8-16)14-17-10-12-22(32-17)15-9-11-20(25)19(13-15)24(26,27)28/h3-5,7-14H,2,6H2,1H3

InChI Key

BPFIHYGULFIWRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.036

Distribution Coefficient, logD

7.036

Water Solubility, LogSw

-6.31

Polar Surface Area

33.887

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5784-0056 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5784-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5784-0056?
Check Price and Availability of 5784-0056, 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 5784-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5784-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5784-0056
  • 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 5784-0056 available by request