2083-0081 Screening compound: 4-{[(4E)-1-(3,4-dichlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-2-ethoxyphenyl acetate

2083-0081 Screening compound: 4-{[(4E)-1-(3,4-dichlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-2-ethoxyphenyl acetate
2083-0081 Screening compound: 4-{[(4E)-1-(3,4-dichlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-2-ethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-0081
4-{[(4E)-1-(3,4-dichlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-2-ethoxyphenyl acetate

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

2083-0081

Molecular Formula

C21H18Cl2N2O4 (C21 H18 Cl2 N2 O4)

Compound Name

4-{[(4E)-1-(3,4-dichlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-2-ethoxyphenyl acetate

IUPAC name

4-{[(4E)-1-(34-dichlorophenyl)-3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-ylidene]methyl}-2-ethoxyphenyl acetate

SMILES

CCOc(cc(/C=C(\C(C)=NN1c(cc2)cc(Cl)c2Cl)/C1=O)cc1)c1OC(C)=O

InChI

InChI=1S/C21H18Cl2N2O4/c1-4-28-20-10-14(5-8-19(20)29-13(3)26)9-16-12(2)24-25(21(16)27)15-6-7-17(22)18(23)11-15/h5-11H,4H2,1-3H3

InChI Key

FVOWRICERHTKTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01057981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.589

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-4.93

Polar Surface Area

53.635

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 2083-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-0081?
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What is the minimum amount of 2083-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-0081
  • 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 2083-0081 available by request