2368-1446 Screening compound: ethyl 4-(2,5-dimethyl-3-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate

2368-1446 Screening compound: ethyl 4-(2,5-dimethyl-3-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate
2368-1446 Screening compound: ethyl 4-(2,5-dimethyl-3-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1446
ethyl 4-(2,5-dimethyl-3-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate

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

2368-1446

Molecular Formula

C19H18N2O3S2 (C19 H18 N2 O3 S2)

Compound Name

ethyl 4-(2,5-dimethyl-3-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate

IUPAC name

ethyl 4-(25-dimethyl-3-{[(5Z)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate

SMILES

CCOC(c(cc1)ccc1-n1c(C)c(/C=C(/C(N2)=O)\SC2=S)cc1C)=O

InChI

InChI=1S/C19H18N2O3S2/c1-4-24-18(23)13-5-7-15(8-6-13)21-11(2)9-14(12(21)3)10-16-17(22)20-19(25)26-16/h5-10H,4H2,1-3H3,(H,20,22,25)

InChI Key

MZCRRZKRFBYGSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.189

Distribution Coefficient, logD

2.464

Water Solubility, LogSw

-3.35

Polar Surface Area

48.319

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 2368-1446 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 2368-1446
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Delivery formats for 2368-1446
  • 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 2368-1446 available by request