5784-0361 Screening compound: (4E)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one

5784-0361 Screening compound: (4E)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one
5784-0361 Screening compound: (4E)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5784-0361
(4E)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)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

5784-0361

Molecular Formula

C20H19BrN2O3 (C20 H19 BrN2 O3)

Compound Name

(4E)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-phenyl-3-propyl-45-dihydro-1H-pyrazol-5-one

SMILES

CCCC(/C(/C1=O)=C\c(cc2OC)cc(Br)c2O)=NN1c1ccccc1

InChI

InChI=1S/C20H19BrN2O3/c1-3-7-17-15(10-13-11-16(21)19(24)18(12-13)26-2)20(25)23(22-17)14-8-5-4-6-9-14/h4-6,8-12,24H,3,7H2,1-2H3

InChI Key

DSCZULPEOTUPDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.253

Water Solubility, LogSw

-4.25

Polar Surface Area

49.427

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5784-0361 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 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 5784-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5784-0361?
Check Price and Availability of 5784-0361, 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 5784-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5784-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5784-0361
  • 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 5784-0361 available by request