4482-3989 Screening compound: 2-(4-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)acetic acid

4482-3989 Screening compound: 2-(4-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)acetic acid
4482-3989 Screening compound: 2-(4-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4482-3989
2-(4-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)acetic 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

4482-3989

Molecular Formula

C19H16N2O4 (C19 H16 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/C1=O)=C\c(cc2)ccc2OCC(O)=O)=NN1c1ccccc1

InChI

InChI=1S/C19H16N2O4/c1-13-17(19(24)21(20-13)15-5-3-2-4-6-15)11-14-7-9-16(10-8-14)25-12-18(22)23/h2-11H,12H2,1H3,(H,22,23)

InChI Key

SFOTVGLXFLCVRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01325750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.755

Distribution Coefficient, logD

-1.482

Water Solubility, LogSw

-3.04

Polar Surface Area

61.470

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 4482-3989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4482-3989?
Check Price and Availability of 4482-3989, 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 4482-3989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4482-3989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4482-3989
  • 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 4482-3989 available by request