4129-2340 Screening compound: (5Z)-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

4129-2340 Screening compound: (5Z)-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
4129-2340 Screening compound: (5Z)-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4129-2340
(5Z)-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

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

4129-2340

Molecular Formula

C19H26N2O2S (C19 H26 N2 O2 S)

Compound Name

(5Z)-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-5-[(35-di-tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

SMILES

CC(C)(C)c1cc(/C=C(/C(N2C)=O)\NC2=S)cc(C(C)(C)C)c1O

InChI

InChI=1S/C19H26N2O2S/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)21(7)17(24)20-14/h8-10,22H,1-7H3,(H,20,24)

InChI Key

ISKAUZXMBMCTFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.465

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.14

Polar Surface Area

43.024

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

4129-2340 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 4129-2340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4129-2340?
Check Price and Availability of 4129-2340, 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 4129-2340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4129-2340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4129-2340
  • 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 4129-2340 available by request