8011-0509 Screening compound: ethyl 4-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(methylcarbamoyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate

8011-0509 Screening compound: ethyl 4-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(methylcarbamoyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
8011-0509 Screening compound: ethyl 4-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(methylcarbamoyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0509
ethyl 4-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(methylcarbamoyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate

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

8011-0509

Molecular Formula

C25H29N3O6S (C25 H29 N3 O6 S)

Compound Name

ethyl 4-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(methylcarbamoyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate

IUPAC name

ethyl 4-{3-[2-(34-dimethoxyphenyl)ethyl]-4-[(methylcarbamoyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(CC(NC)=O)N1CCc(cc2)cc(OC)c2OC)=O)C1=S)=O

InChI

InChI=1S/C25H29N3O6S/c1-5-34-24(31)17-7-9-18(10-8-17)28-23(30)19(15-22(29)26-2)27(25(28)35)13-12-16-6-11-20(32-3)21(14-16)33-4/h6-11,14,19H,5,12-13,15H2,1-4H3,(H,26,29)/t19-/m1/s1

InChI Key

YNSIUKZDUISMHU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02647673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.092

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-2.92

Polar Surface Area

79.134

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

8011-0509 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8011-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0509?
Check Price and Availability of 8011-0509, 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 8011-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0509
  • 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 8011-0509 available by request