3584-0206 Screening compound: 4-(5-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid

3584-0206 Screening compound: 4-(5-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
3584-0206 Screening compound: 4-(5-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0206
4-(5-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-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

3584-0206

Molecular Formula

C22H16N2O4 (C22 H16 N2 O4)

Compound Name

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

IUPAC name

4-(5-{[(4E)-3-methyl-5-oxo-1-phenyl-45-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CC(/C(/C1=O)=C\c2ccc(-c(cc3)ccc3C(O)=O)o2)=NN1c1ccccc1

InChI

InChI=1S/C22H16N2O4/c1-14-19(21(25)24(23-14)17-5-3-2-4-6-17)13-18-11-12-20(28-18)15-7-9-16(10-8-15)22(26)27/h2-13H,1H3,(H,26,27)

InChI Key

GUDOENKDQFFNED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

0.775

Water Solubility, LogSw

-4.34

Polar Surface Area

61.565

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

3584-0206 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3584-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0206?
Check Price and Availability of 3584-0206, 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 3584-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0206
  • 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 3584-0206 available by request