2083-1417 Screening compound: (4E)-1-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

2083-1417 Screening compound: (4E)-1-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
2083-1417 Screening compound: (4E)-1-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-1417
(4E)-1-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)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

2083-1417

Molecular Formula

C21H21IN2O3 (C21 H21 IN2 O3)

Compound Name

(4E)-1-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-1-(34-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-3-methyl-45-dihydro-1H-pyrazol-5-one

SMILES

CCOc1cc(/C=C(\C(C)=NN2c3cc(C)c(C)cc3)/C2=O)cc(I)c1O

InChI

InChI=1S/C21H21IN2O3/c1-5-27-19-11-15(10-18(22)20(19)25)9-17-14(4)23-24(21(17)26)16-7-6-12(2)13(3)8-16/h6-11,25H,5H2,1-4H3

InChI Key

DGEODXYQPQEHPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01157884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.863

Distribution Coefficient, logD

5.819

Water Solubility, LogSw

-5.28

Polar Surface Area

48.276

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

2083-1417 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2083-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-1417?
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What is the minimum amount of 2083-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-1417
  • 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 2083-1417 available by request