2109-0456 Screening compound: 4-bromo-N-{4-oxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide

2109-0456 Screening compound: 4-bromo-N-{4-oxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide
2109-0456 Screening compound: 4-bromo-N-{4-oxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2109-0456
4-bromo-N-{4-oxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-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

2109-0456

Molecular Formula

C18H10BrN3O3S2 (C18 H10 BrN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1Br)NN(C(/C(/S1)=C(\c(cccc2)c2N2)/C2=O)=O)C1=S

InChI

InChI=1S/C18H10BrN3O3S2/c19-10-7-5-9(6-8-10)15(23)21-22-17(25)14(27-18(22)26)13-11-3-1-2-4-12(11)20-16(13)24/h1-8H,(H,20,24)(H,21,23)

InChI Key

XCVAABONCQYFML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-3.79

Polar Surface Area

68.087

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2109-0456 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 2109-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2109-0456?
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What is the minimum amount of 2109-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2109-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2109-0456
  • 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 2109-0456 available by request