3358-3654 Screening compound: (4E)-4-[(3-iodophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

3358-3654 Screening compound: (4E)-4-[(3-iodophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
3358-3654 Screening compound: (4E)-4-[(3-iodophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3358-3654
(4E)-4-[(3-iodophenyl)methylidene]-1-phenylpyrazolidine-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

3358-3654

Molecular Formula

C16H11IN2O2 (C16 H11 IN2 O2)

Compound Name

(4E)-4-[(3-iodophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

IUPAC name

(4E)-4-[(3-iodophenyl)methylidene]-1-phenylpyrazolidine-35-dione

SMILES

O=C(/C(/C1=O)=C\c2cccc(I)c2)NN1c1ccccc1

InChI

InChI=1S/C16H11IN2O2/c17-12-6-4-5-11(9-12)10-14-15(20)18-19(16(14)21)13-7-2-1-3-8-13/h1-10H,(H,18,20)

InChI Key

JAGUDTQMBCOXJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.43

Polar Surface Area

42.760

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3358-3654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3358-3654?
Check Price and Availability of 3358-3654, 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 3358-3654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3358-3654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3358-3654
  • 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 3358-3654 available by request