4896-0760 Screening compound: 5,7-dibromo-3-[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-2,3-dihydro-1H-indol-2-one

4896-0760 Screening compound: 5,7-dibromo-3-[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-2,3-dihydro-1H-indol-2-one
4896-0760 Screening compound: 5,7-dibromo-3-[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-0760
5,7-dibromo-3-[(4Z)-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

4896-0760

Molecular Formula

C11H5Br2N3O2S (C11 H5 Br2 N3 O2 S)

Compound Name

5,7-dibromo-3-[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-2,3-dihydro-1H-indol-2-one

IUPAC name

57-dibromo-3-[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-23-dihydro-1H-indol-2-one

SMILES

O=C(/C(/c1cc(Br)c2)=C(/C(N3)=O)\NC3=S)Nc1c2Br

InChI

InChI=1S/C11H5Br2N3O2S/c12-3-1-4-6(8-10(18)16-11(19)15-8)9(17)14-7(4)5(13)2-3/h1-2H,(H,14,17)(H2,15,16,18,19)

InChI Key

LPQQDSHZZNCNQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00659757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.05

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

1.944

Distribution Coefficient, logD

0.376

Water Solubility, LogSw

-2.75

Polar Surface Area

59.706

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4896-0760 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4896-0760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-0760?
Check Price and Availability of 4896-0760, 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 4896-0760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-0760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-0760
  • 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 4896-0760 available by request