2083-0180 Screening compound: (4E)-1-(4-acetylphenyl)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-4,5-dihydro-1H-pyrazol-5-one

2083-0180 Screening compound: (4E)-1-(4-acetylphenyl)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-4,5-dihydro-1H-pyrazol-5-one
2083-0180 Screening compound: (4E)-1-(4-acetylphenyl)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-0180
(4E)-1-(4-acetylphenyl)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-4,5-dihydro-1H-pyrazol-5-one

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

2083-0180

Molecular Formula

C27H24N2O4 (C27 H24 N2 O4)

Compound Name

(4E)-1-(4-acetylphenyl)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-1-(4-acetylphenyl)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(c(cc1)ccc1N(C1=O)N=C(C)/C1=C\c(cc1)cc(OC)c1OCc1ccccc1)=O

InChI

InChI=1S/C27H24N2O4/c1-18-24(27(31)29(28-18)23-12-10-22(11-13-23)19(2)30)15-21-9-14-25(26(16-21)32-3)33-17-20-7-5-4-6-8-20/h4-16H,17H2,1-3H3

InChI Key

NTAPUXXWTAEBBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01157125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.67

Polar Surface Area

54.358

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-6.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 2083-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-0180?
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What is the minimum amount of 2083-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-0180
  • 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 2083-0180 available by request