2049-0272 Screening compound: 1,7-dimethyl-3-[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one

2049-0272 Screening compound: 1,7-dimethyl-3-[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one
2049-0272 Screening compound: 1,7-dimethyl-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 2049-0272
1,7-dimethyl-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

2049-0272

Molecular Formula

C13H10N2O2S2 (C13 H10 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(/C2=C(\C(N3)=O)/SC3=S)c1N(C)C2=O

InChI

InChI=1S/C13H10N2O2S2/c1-6-4-3-5-7-8(12(17)15(2)9(6)7)10-11(16)14-13(18)19-10/h3-5H,1-2H3,(H,14,16,18)

InChI Key

MVHXLYKNTUIHTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00565653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.522

Distribution Coefficient, logD

-0.892

Water Solubility, LogSw

-2.47

Polar Surface Area

41.563

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2049-0272 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2049-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2049-0272?
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What is the minimum amount of 2049-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2049-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2049-0272
  • 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 2049-0272 available by request