8008-1206 Screening compound: (4E)-1-(4-bromophenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]pyrazolidine-3,5-dione

8008-1206 Screening compound: (4E)-1-(4-bromophenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]pyrazolidine-3,5-dione
8008-1206 Screening compound: (4E)-1-(4-bromophenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]pyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1206
(4E)-1-(4-bromophenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]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

8008-1206

Molecular Formula

C18H14BrIN2O4 (C18 H14 BrIN2 O4)

Compound Name

(4E)-1-(4-bromophenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]pyrazolidine-3,5-dione

IUPAC name

(4E)-1-(4-bromophenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]pyrazolidine-35-dione

SMILES

CCOc1cc(/C=C(\C(NN2c(cc3)ccc3Br)=O)/C2=O)cc(I)c1O

InChI

InChI=1S/C18H14BrIN2O4/c1-2-26-15-9-10(8-14(20)16(15)23)7-13-17(24)21-22(18(13)25)12-5-3-11(19)4-6-12/h3-9,23H,2H2,1H3,(H,21,24)

InChI Key

GUEHWHYYCGCTCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.13

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.061

Water Solubility, LogSw

-4.11

Polar Surface Area

65.449

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8008-1206 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8008-1206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1206?
Check Price and Availability of 8008-1206, 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 8008-1206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1206
  • 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 8008-1206 available by request