0425-0011 Screening compound: 3-ethyl-5-[(2Z)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one

0425-0011 Screening compound: 3-ethyl-5-[(2Z)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one
0425-0011 Screening compound: 3-ethyl-5-[(2Z)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]-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 0425-0011
3-ethyl-5-[(2Z)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]-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

0425-0011

Molecular Formula

C21H21N3O3S4 (C21 H21 N3 O3 S4)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cc(cc1)OC)c1S1)/C1=C(\C(N1CC)=O)/S/C1=C(/C(N1CC=C)=O)\SC1=S

InChI

InChI=1S/C21H21N3O3S4/c1-5-10-24-18(26)16(31-21(24)28)20-23(7-3)17(25)15(30-20)19-22(6-2)13-11-12(27-4)8-9-14(13)29-19/h5,8-9,11H,1,6-7,10H2,2-4H3

InChI Key

APGZZQJLVGMVLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00655201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.070

Distribution Coefficient, logD

5.070

Water Solubility, LogSw

-4.71

Polar Surface Area

46.286

Acid Dissociation Constant (pKa)

29.67

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 0425-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0425-0011?
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What is the minimum amount of 0425-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0425-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0425-0011
  • 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 0425-0011 available by request