E953-0142 Screening compound: 1-(4-methylbenzyl)-3-[(Z)-1-(phenethylamino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

E953-0142 Screening compound: 1-(4-methylbenzyl)-3-[(Z)-1-(phenethylamino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione
E953-0142 Screening compound: 1-(4-methylbenzyl)-3-[(Z)-1-(phenethylamino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound E953-0142
1-(4-methylbenzyl)-3-[(Z)-1-(phenethylamino)methylidene]-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

E953-0142

Molecular Formula

C23H22N2O3S2 (C23 H22 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(c2c(C(/C3=C/NCCc4ccccc4)=O)scc2)S3(=O)=O)cc1

InChI

InChI=1S/C23H22N2O3S2/c1-17-7-9-19(10-8-17)16-25-20-12-14-29-23(20)22(26)21(30(25,27)28)15-24-13-11-18-5-3-2-4-6-18/h2-10,12,14-15,24H,11,13,16H2,1H3

InChI Key

NFJUHNZYTPGDFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-3.89

Polar Surface Area

57.900

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E953-0142 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E953-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of E953-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E953-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0142
  • 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 E953-0142 available by request