E953-0124 Screening compound: 3-[(Z)-1-(3,4-dimethoxyanilino)methylidene]-1-(4-methylbenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

E953-0124 Screening compound: 3-[(Z)-1-(3,4-dimethoxyanilino)methylidene]-1-(4-methylbenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione
E953-0124 Screening compound: 3-[(Z)-1-(3,4-dimethoxyanilino)methylidene]-1-(4-methylbenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound E953-0124
3-[(Z)-1-(3,4-dimethoxyanilino)methylidene]-1-(4-methylbenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

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

E953-0124

Molecular Formula

C23H22N2O5S2 (C23 H22 N2 O5 S2)

Compound Name

3-[(Z)-1-(3,4-dimethoxyanilino)methylidene]-1-(4-methylbenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

IUPAC name

(3Z)-3-{[(34-dimethoxyphenyl)amino]methylidene}-1-[(4-methylphenyl)methyl]-1H3H4H-2lambda6-thieno[32-c][12]thiazine-224-trione

SMILES

Cc1ccc(CN(c2c(C(/C3=C/Nc(cc4)cc(OC)c4OC)=O)scc2)S3(=O)=O)cc1

InChI

InChI=1S/C23H22N2O5S2/c1-15-4-6-16(7-5-15)14-25-18-10-11-31-23(18)22(26)21(32(25,27)28)13-24-17-8-9-19(29-2)20(12-17)30-3/h4-13,24H,14H2,1-3H3

InChI Key

JWUFLTKFJNSDJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.948

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-4.02

Polar Surface Area

71.789

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with E953-0124 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 E953-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0124
  • 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 E953-0124 available by request