2082-0088 Screening compound: (4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)pyrazolidine-3,5-dione

2082-0088 Screening compound: (4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)pyrazolidine-3,5-dione
2082-0088 Screening compound: (4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)pyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2082-0088
(4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)pyrazolidine-3,5-dione

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

2082-0088

Molecular Formula

C18H14BrClN2O4 (C18 H14 BrClN2 O4)

Compound Name

(4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)pyrazolidine-3,5-dione

IUPAC name

(4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)pyrazolidine-35-dione

SMILES

Cc(ccc(N(C(/C1=C\c(cc2OC)cc(Br)c2O)=O)NC1=O)c1)c1Cl

InChI

InChI=1S/C18H14BrClN2O4/c1-9-3-4-11(8-14(9)20)22-18(25)12(17(24)21-22)5-10-6-13(19)16(23)15(7-10)26-2/h3-8,23H,1-2H3,(H,21,24)

InChI Key

RLTYJNBTKLCFFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.305

Water Solubility, LogSw

-3.96

Polar Surface Area

65.869

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

-8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2082-0088 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2082-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2082-0088?
Check Price and Availability of 2082-0088, 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 2082-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2082-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2082-0088
  • 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 2082-0088 available by request