5425-2192 Screening compound: 4-[3-methyl-5-oxo-4-((Z)-1-{4-[(2-thienylcarbonyl)oxy]phenyl}methylidene)-1H-pyrazol-1(5H)-yl]benzoic acid

5425-2192 Screening compound: 4-[3-methyl-5-oxo-4-((Z)-1-{4-[(2-thienylcarbonyl)oxy]phenyl}methylidene)-1H-pyrazol-1(5H)-yl]benzoic acid
5425-2192 Screening compound: 4-[3-methyl-5-oxo-4-((Z)-1-{4-[(2-thienylcarbonyl)oxy]phenyl}methylidene)-1H-pyrazol-1(5H)-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5425-2192
4-[3-methyl-5-oxo-4-((Z)-1-{4-[(2-thienylcarbonyl)oxy]phenyl}methylidene)-1H-pyrazol-1(5H)-yl]benzoic 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

5425-2192

Molecular Formula

C23H16N2O5S (C23 H16 N2 O5 S)

Compound Name

4-[3-methyl-5-oxo-4-((Z)-1-{4-[(2-thienylcarbonyl)oxy]phenyl}methylidene)-1H-pyrazol-1(5H)-yl]benzoic acid

IUPAC name

4-[(4Z)-3-methyl-5-oxo-4-{[4-(thiophene-2-carbonyloxy)phenyl]methylidene}-45-dihydro-1H-pyrazol-1-yl]benzoic acid

SMILES

CC(/C(/C1=O)=C/c(cc2)ccc2OC(c2cccs2)=O)=NN1c(cc1)ccc1C(O)=O

InChI

InChI=1S/C23H16N2O5S/c1-14-19(21(26)25(24-14)17-8-6-16(7-9-17)22(27)28)13-15-4-10-18(11-5-15)30-23(29)20-3-2-12-31-20/h2-13H,1H3,(H,27,28)

InChI Key

XLEMZFNFVOYJAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04084727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-4.35

Polar Surface Area

75.391

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.35

5425-2192 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5425-2192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5425-2192?
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What is the minimum amount of 5425-2192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5425-2192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5425-2192
  • 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 5425-2192 available by request