5408-3647 Screening compound: (5E)-3-phenyl-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}imidazolidine-2,4-dione

5408-3647 Screening compound: (5E)-3-phenyl-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}imidazolidine-2,4-dione
5408-3647 Screening compound: (5E)-3-phenyl-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-3647
(5E)-3-phenyl-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}imidazolidine-2,4-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

5408-3647

Molecular Formula

C21H19N3O2 (C21 H19 N3 O2)

Compound Name

(5E)-3-phenyl-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}imidazolidine-2,4-dione

IUPAC name

(5E)-3-phenyl-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}imidazolidine-24-dione

SMILES

CC(C)n1c(cccc2)c2c(/C=C(\C(N2c3ccccc3)=O)/NC2=O)c1

InChI

InChI=1S/C21H19N3O2/c1-14(2)23-13-15(17-10-6-7-11-19(17)23)12-18-20(25)24(21(26)22-18)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,22,26)

InChI Key

IEIFUBMIQMWUTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03269897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.734

Distribution Coefficient, logD

3.733

Water Solubility, LogSw

-3.98

Polar Surface Area

42.854

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

5408-3647 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5408-3647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-3647?
Check Price and Availability of 5408-3647, 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 5408-3647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-3647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-3647
  • 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 5408-3647 available by request