2082-0454 Screening compound: (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

2082-0454 Screening compound: (4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
2082-0454 Screening compound: (4Z)-1-(3-chlorophenyl)-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 2082-0454
(4Z)-1-(3-chlorophenyl)-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

2082-0454

Molecular Formula

C19H16ClIN2O3 (C19 H16 ClIN2 O3)

Compound Name

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

IUPAC name

(4Z)-1-(3-chlorophenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-3-methyl-45-dihydro-1H-pyrazol-5-one

SMILES

CCOc1cc(/C=C(/C(C)=NN2c3cc(Cl)ccc3)\C2=O)cc(I)c1O

InChI

InChI=1S/C19H16ClIN2O3/c1-3-26-17-9-12(8-16(21)18(17)24)7-15-11(2)22-23(19(15)25)14-6-4-5-13(20)10-14/h4-10,24H,3H2,1-2H3

InChI Key

GLOQNNFAOYOKCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01157301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.7

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

5.370

Distribution Coefficient, logD

5.326

Water Solubility, LogSw

-5.56

Polar Surface Area

48.276

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 2082-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2082-0454?
Check Price and Availability of 2082-0454, 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 2082-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2082-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2082-0454
  • 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 2082-0454 available by request