2049-0275 Screening compound: 5,7-dibromo-3-[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one

2049-0275 Screening compound: 5,7-dibromo-3-[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one
2049-0275 Screening compound: 5,7-dibromo-3-[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2049-0275
5,7-dibromo-3-[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-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

2049-0275

Molecular Formula

C11H4Br2N2O2S2 (C11 H4 Br2 N2 O2 S2)

Compound Name

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

IUPAC name

57-dibromo-3-[(5Z)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-23-dihydro-1H-indol-2-one

SMILES

O=C(/C(/c1cc(Br)c2)=C(/C(N3)=O)\SC3=S)Nc1c2Br

InChI

InChI=1S/C11H4Br2N2O2S2/c12-3-1-4-6(8-10(17)15-11(18)19-8)9(16)14-7(4)5(13)2-3/h1-2H,(H,14,16)(H,15,17,18)

InChI Key

GQNOMVMLQLXHMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00565638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.11

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.467

Distribution Coefficient, logD

-0.666

Water Solubility, LogSw

-3.01

Polar Surface Area

47.892

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2049-0275 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2049-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2049-0275?
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What is the minimum amount of 2049-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2049-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2049-0275
  • 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 2049-0275 available by request