3947-1893 Screening compound: (4E)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

3947-1893 Screening compound: (4E)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
3947-1893 Screening compound: (4E)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3947-1893
(4E)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-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

3947-1893

Molecular Formula

C25H21ClN2O3S (C25 H21 ClN2 O3 S)

Compound Name

(4E)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

CCOc(cc(/C=C(\C(CSc(cc1)ccc1Cl)=NN1c2ccccc2)/C1=O)cc1)c1O

InChI

InChI=1S/C25H21ClN2O3S/c1-2-31-24-15-17(8-13-23(24)29)14-21-22(16-32-20-11-9-18(26)10-12-20)27-28(25(21)30)19-6-4-3-5-7-19/h3-15,29H,2,16H2,1H3

InChI Key

UANXLJATAGSYCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.625

Distribution Coefficient, logD

5.622

Water Solubility, LogSw

-5.82

Polar Surface Area

49.804

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-7.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

3947-1893 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 3947-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3947-1893?
Check Price and Availability of 3947-1893, 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 3947-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3947-1893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3947-1893
  • 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 3947-1893 available by request