2421-0883 Screening compound: (5Z)-3-ethyl-5-{2-[(2E)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}-2-[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one

2421-0883 Screening compound: (5Z)-3-ethyl-5-{2-[(2E)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}-2-[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one
2421-0883 Screening compound: (5Z)-3-ethyl-5-{2-[(2E)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}-2-[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2421-0883
(5Z)-3-ethyl-5-{2-[(2E)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}-2-[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-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

2421-0883

Molecular Formula

C23H23N3O3S4 (C23 H23 N3 O3 S4)

Compound Name

(5Z)-3-ethyl-5-{2-[(2E)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}-2-[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-ethyl-5-{2-[(2E)-3-ethyl-5-methoxy-23-dihydro-13-benzothiazol-2-ylidene]ethylidene}-2-[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-5-ylidene]-13-thiazolidin-4-one

SMILES

CCN1c(cc(cc2)OC)c2S/C1=C/C=C(/C(N1CC)=O)\S/C1=C(/C(N1CC=C)=O)\SC1=S

InChI

InChI=1S/C23H23N3O3S4/c1-5-12-26-21(28)19(33-23(26)30)22-25(7-3)20(27)17(32-22)10-11-18-24(6-2)15-13-14(29-4)8-9-16(15)31-18/h5,8-11,13H,1,6-7,12H2,2-4H3

InChI Key

GNBNGVFHMOYEAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00625808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.537

Distribution Coefficient, logD

5.537

Water Solubility, LogSw

-5.37

Polar Surface Area

43.563

Acid Dissociation Constant (pKa)

29.67

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 2421-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2421-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2421-0883
  • 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 2421-0883 available by request