2421-0866 Screening compound: (5Z)-2-[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-ethyl-5-{2-[(2Z)-1-ethyl-3,3-dimethyl-5-phenyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-4-one

2421-0866 Screening compound: (5Z)-2-[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-ethyl-5-{2-[(2Z)-1-ethyl-3,3-dimethyl-5-phenyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-4-one
2421-0866 Screening compound: (5Z)-2-[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-ethyl-5-{2-[(2Z)-1-ethyl-3,3-dimethyl-5-phenyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2421-0866
(5Z)-2-[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-ethyl-5-{2-[(2Z)-1-ethyl-3,3-dimethyl-5-phenyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-4-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

2421-0866

Molecular Formula

C35H33N3O2S3 (C35 H33 N3 O2 S3)

Compound Name

(5Z)-2-[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-ethyl-5-{2-[(2Z)-1-ethyl-3,3-dimethyl-5-phenyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-4-one

IUPAC name

(5Z)-2-[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-3-ethyl-5-{2-[(2Z)-1-ethyl-33-dimethyl-5-phenyl-23-dihydro-1H-indol-2-ylidene]ethylidene}-13-thiazolidin-4-one

SMILES

CCN(/C(/C1(C)C)=C\C=C(\C(N2CC)=O)/S/C2=C(/C(N2Cc3ccccc3)=O)\SC2=S)c(cc2)c1cc2-c1ccccc1

InChI

InChI=1S/C35H33N3O2S3/c1-5-36-27-18-17-25(24-15-11-8-12-16-24)21-26(27)35(3,4)29(36)20-19-28-31(39)37(6-2)33(42-28)30-32(40)38(34(41)43-30)22-23-13-9-7-10-14-23/h7-21H,5-6,22H2,1-4H3

InChI Key

XXJPGPJLZPYZIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00625794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

623.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.607

Distribution Coefficient, logD

8.607

Water Solubility, LogSw

-5.70

Polar Surface Area

35.319

Acid Dissociation Constant (pKa)

29.66

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.90

2421-0866 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2421-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2421-0866?
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What is the minimum amount of 2421-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2421-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2421-0866
  • 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 2421-0866 available by request