4449-1302 Screening compound: (5Z)-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

4449-1302 Screening compound: (5Z)-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
4449-1302 Screening compound: (5Z)-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4449-1302
(5Z)-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)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

4449-1302

Molecular Formula

C18H24N2O3 (C18 H24 N2 O3)

Compound Name

(5Z)-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

IUPAC name

(5Z)-5-[(35-di-tert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-24-dione

SMILES

CC(C)(C)c1cc(/C=C(/C(N2)=O)\NC2=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C18H24N2O3/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(23)19-13/h7-9,21H,1-6H3,(H2,19,20,22,23)

InChI Key

AVKZHMHSYRISOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05039920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.619

Water Solubility, LogSw

-3.63

Polar Surface Area

64.790

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

4449-1302 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4449-1302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4449-1302?
Check Price and Availability of 4449-1302, 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 4449-1302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4449-1302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4449-1302
  • 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 4449-1302 available by request