3468-0171 Screening compound: (4E)-4-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-1-phenylpyrazolidine-3,5-dione

3468-0171 Screening compound: (4E)-4-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
3468-0171 Screening compound: (4E)-4-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-1-phenylpyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3468-0171
(4E)-4-{[1-(2-phenoxyethyl)-1H-indol-3-yl]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

3468-0171

Molecular Formula

C26H21N3O3 (C26 H21 N3 O3)

Compound Name

(4E)-4-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-1-phenylpyrazolidine-3,5-dione

IUPAC name

(4E)-4-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-1-phenylpyrazolidine-35-dione

SMILES

O=C(/C(/C1=O)=C\c2cn(CCOc3ccccc3)c3c2cccc3)NN1c1ccccc1

InChI

InChI=1S/C26H21N3O3/c30-25-23(26(31)29(27-25)20-9-3-1-4-10-20)17-19-18-28(24-14-8-7-13-22(19)24)15-16-32-21-11-5-2-6-12-21/h1-14,17-18H,15-16H2,(H,27,30)

InChI Key

FFRSEMVTJQRLSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

3.875

Water Solubility, LogSw

-4.13

Polar Surface Area

51.888

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

3468-0171 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3468-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3468-0171?
Check Price and Availability of 3468-0171, 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 3468-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3468-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3468-0171
  • 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 3468-0171 available by request