5499-0744 Screening compound: 5-methyl-3-[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-2,3-dihydro-1H-indol-2-one

5499-0744 Screening compound: 5-methyl-3-[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-2,3-dihydro-1H-indol-2-one
5499-0744 Screening compound: 5-methyl-3-[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5499-0744
5-methyl-3-[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-2,3-dihydro-1H-indol-2-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

5499-0744

Molecular Formula

C12H9N3O2S (C12 H9 N3 O2 S)

Compound Name

5-methyl-3-[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-2,3-dihydro-1H-indol-2-one

IUPAC name

5-methyl-3-[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-23-dihydro-1H-indol-2-one

SMILES

Cc(cc1)cc(/C2=C(/C(N3)=O)\NC3=S)c1NC2=O

InChI

InChI=1S/C12H9N3O2S/c1-5-2-3-7-6(4-5)8(10(16)13-7)9-11(17)15-12(18)14-9/h2-4H,1H3,(H,13,16)(H2,14,15,17,18)

InChI Key

LAMQCFGZZNMIOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.093

Distribution Coefficient, logD

0.480

Water Solubility, LogSw

-2.35

Polar Surface Area

61.958

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

5499-0744 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5499-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5499-0744?
Check Price and Availability of 5499-0744, 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 5499-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5499-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5499-0744
  • 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 5499-0744 available by request