3033-1491 Screening compound: 4-(5-{[(4E)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonic acid

3033-1491 Screening compound: 4-(5-{[(4E)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonic acid
3033-1491 Screening compound: 4-(5-{[(4E)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3033-1491
4-(5-{[(4E)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonic acid

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

3033-1491

Molecular Formula

C23H20N2O5S (C23 H20 N2 O5 S)

Compound Name

4-(5-{[(4E)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonic acid

IUPAC name

4-(5-{[(4E)-1-(34-dimethylphenyl)-3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonic acid

SMILES

CC(/C(/C1=O)=C\c2ccc(-c(cc3)ccc3S(O)(=O)=O)o2)=NN1c1cc(C)c(C)cc1

InChI

InChI=1S/C23H20N2O5S/c1-14-4-7-18(12-15(14)2)25-23(26)21(16(3)24-25)13-19-8-11-22(30-19)17-5-9-20(10-6-17)31(27,28)29/h4-13H,1-3H3,(H,27,28,29)

InChI Key

XWIOHNIZKMIDJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.764

Distribution Coefficient, logD

-10.936

Water Solubility, LogSw

-3.05

Polar Surface Area

75.571

Acid Dissociation Constant (pKa)

-6.30

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3033-1491 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 3033-1491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3033-1491?
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What is the minimum amount of 3033-1491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3033-1491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3033-1491
  • 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 3033-1491 available by request