8008-6505 Screening compound: 4-[(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-(4-iodophenyl)-1H-pyrazole-3,5(2H)-dione

8008-6505 Screening compound: 4-[(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-(4-iodophenyl)-1H-pyrazole-3,5(2H)-dione
8008-6505 Screening compound: 4-[(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-(4-iodophenyl)-1H-pyrazole-3,5(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6505
4-[(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-(4-iodophenyl)-1H-pyrazole-3,5(2H)-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

8008-6505

Molecular Formula

C18H15IN2O5 (C18 H15 IN2 O5)

Compound Name

4-[(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-(4-iodophenyl)-1H-pyrazole-3,5(2H)-dione

IUPAC name

(4Z)-4-[(4-hydroxy-35-dimethoxyphenyl)methylidene]-1-(4-iodophenyl)pyrazolidine-35-dione

SMILES

COc1cc(/C=C(/C(NN2c(cc3)ccc3I)=O)\C2=O)cc(OC)c1O

InChI

InChI=1S/C18H15IN2O5/c1-25-14-8-10(9-15(26-2)16(14)22)7-13-17(23)20-21(18(13)24)12-5-3-11(19)4-6-12/h3-9,22H,1-2H3,(H,20,23)

InChI Key

OIXZOMDOGVSPHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01414409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.724

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-3.07

Polar Surface Area

73.500

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8008-6505 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-6505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6505?
Check Price and Availability of 8008-6505, 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 8008-6505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6505
  • 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 8008-6505 available by request