4169-2513 Screening compound: 3-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

4169-2513 Screening compound: 3-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
4169-2513 Screening compound: 3-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4169-2513
3-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-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

4169-2513

Molecular Formula

C23H16N2O6 (C23 H16 N2 O6)

Compound Name

3-[(4Z)-4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

IUPAC name

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

SMILES

CC(/C(/C1=O)=C/c2ccc(-c(cc3)ccc3C(O)=O)o2)=NN1c1cc(C(O)=O)ccc1

InChI

InChI=1S/C23H16N2O6/c1-13-19(21(26)25(24-13)17-4-2-3-16(11-17)23(29)30)12-18-9-10-20(31-18)14-5-7-15(8-6-14)22(27)28/h2-12H,1H3,(H,27,28)(H,29,30)

InChI Key

QHCJFJHHCIHULO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02326443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

0.839

Water Solubility, LogSw

-4.38

Polar Surface Area

89.973

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

4169-2513 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4169-2513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4169-2513?
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What is the minimum amount of 4169-2513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4169-2513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4169-2513
  • 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 4169-2513 available by request