3871-0249 Screening compound: 3-(5-{[(4Z)-1-[4-(methoxycarbonyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid

3871-0249 Screening compound: 3-(5-{[(4Z)-1-[4-(methoxycarbonyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
3871-0249 Screening compound: 3-(5-{[(4Z)-1-[4-(methoxycarbonyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3871-0249
3-(5-{[(4Z)-1-[4-(methoxycarbonyl)phenyl]-3-methyl-5-oxo-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

3871-0249

Molecular Formula

C24H18N2O6 (C24 H18 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/C1=O)=C/c2ccc(-c3cc(C(O)=O)ccc3)o2)=NN1c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C24H18N2O6/c1-14-20(22(27)26(25-14)18-8-6-15(7-9-18)24(30)31-2)13-19-10-11-21(32-19)16-4-3-5-17(12-16)23(28)29/h3-13H,1-2H3,(H,28,29)

InChI Key

APGHUSHARVDNKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.656

Distribution Coefficient, logD

1.144

Water Solubility, LogSw

-4.52

Polar Surface Area

82.739

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

-7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 3871-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-0249?
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What is the minimum amount of 3871-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-0249
  • 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 3871-0249 available by request