4228-0481 Screening compound: (4E)-4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

4228-0481 Screening compound: (4E)-4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
4228-0481 Screening compound: (4E)-4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4228-0481
(4E)-4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methyl-1-phenyl-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

4228-0481

Molecular Formula

C17H13ClN2O2 (C17 H13 ClN2 O2)

Compound Name

(4E)-4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methyl-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C\c(cc2)cc(Cl)c2O)=NN1c1ccccc1

InChI

InChI=1S/C17H13ClN2O2/c1-11-14(9-12-7-8-16(21)15(18)10-12)17(22)20(19-11)13-5-3-2-4-6-13/h2-10,21H,1H3

InChI Key

LEHBBKDPFOOCST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02219344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.734

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-3.73

Polar Surface Area

42.135

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4228-0481 in Drug Discovery

Included in Screening Libraries

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 4228-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4228-0481?
Check Price and Availability of 4228-0481, 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 4228-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4228-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4228-0481
  • 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 4228-0481 available by request