2159-0806 Screening compound: N-{5-[(3Z)-5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide

2159-0806 Screening compound: N-{5-[(3Z)-5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide
2159-0806 Screening compound: N-{5-[(3Z)-5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-0806
N-{5-[(3Z)-5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide

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

2159-0806

Molecular Formula

C19H12BrN3O3S2 (C19 H12 BrN3 O3 S2)

Compound Name

N-{5-[(3Z)-5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide

IUPAC name

N-{5-[(3Z)-5-bromo-1-methyl-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}benzamide

SMILES

CN(c(ccc(Br)c1)c1/C1=C(\C(N2NC(c3ccccc3)=O)=O)/SC2=S)C1=O

InChI

InChI=1S/C19H12BrN3O3S2/c1-22-13-8-7-11(20)9-12(13)14(17(22)25)15-18(26)23(19(27)28-15)21-16(24)10-5-3-2-4-6-10/h2-9H,1H3,(H,21,24)

InChI Key

CAVPSQOCYPQTBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01182582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

2.776

Water Solubility, LogSw

-3.69

Polar Surface Area

58.350

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

2159-0806 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2159-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-0806?
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What is the minimum amount of 2159-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-0806
  • 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 2159-0806 available by request