E953-0080 Screening compound: 1-benzyl-3-[(Z)-1-(4-phenoxyanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

E953-0080 Screening compound: 1-benzyl-3-[(Z)-1-(4-phenoxyanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione
E953-0080 Screening compound: 1-benzyl-3-[(Z)-1-(4-phenoxyanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound E953-0080
1-benzyl-3-[(Z)-1-(4-phenoxyanilino)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

E953-0080

Molecular Formula

C26H20N2O4S2 (C26 H20 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(scc1)c1N(Cc1ccccc1)S1(=O)=O)/C1=C/Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C26H20N2O4S2/c29-25-24(17-27-20-11-13-22(14-12-20)32-21-9-5-2-6-10-21)34(30,31)28(23-15-16-33-26(23)25)18-19-7-3-1-4-8-19/h1-17,27H,18H2

InChI Key

ZJJKYVCAOBOIGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.801

Distribution Coefficient, logD

5.801

Water Solubility, LogSw

-5.85

Polar Surface Area

63.275

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

References: we are preparing a list of scientific research reports with E953-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E953-0080?
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What is the minimum amount of E953-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E953-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0080
  • 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 E953-0080 available by request