3174-0538 Screening compound: (4Z)-4-[(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione

3174-0538 Screening compound: (4Z)-4-[(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione
3174-0538 Screening compound: (4Z)-4-[(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3174-0538
(4Z)-4-[(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]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

3174-0538

Molecular Formula

C18H13F3N2O3 (C18 H13 F3 N2 O3)

Compound Name

(4Z)-4-[(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione

IUPAC name

(4Z)-4-[(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrazolidine-35-dione

SMILES

COc1ccc(/C=C(/C(NN2c3cccc(C(F)(F)F)c3)=O)\C2=O)cc1

InChI

InChI=1S/C18H13F3N2O3/c1-26-14-7-5-11(6-8-14)9-15-16(24)22-23(17(15)25)13-4-2-3-12(10-13)18(19,20)21/h2-10H,1H3,(H,22,24)

InChI Key

ABPQACATGYGFCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00654154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.31

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

3.335

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.73

Polar Surface Area

50.304

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3174-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3174-0538?
Check Price and Availability of 3174-0538, 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 3174-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3174-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3174-0538
  • 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 3174-0538 available by request