E953-0321 Screening compound: 3-[(Z)-1-(3-fluoroanilino)methylidene]-1-(4-fluorobenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

E953-0321 Screening compound: 3-[(Z)-1-(3-fluoroanilino)methylidene]-1-(4-fluorobenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione
E953-0321 Screening compound: 3-[(Z)-1-(3-fluoroanilino)methylidene]-1-(4-fluorobenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound E953-0321
3-[(Z)-1-(3-fluoroanilino)methylidene]-1-(4-fluorobenzyl)-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

E953-0321

Molecular Formula

C20H14F2N2O3S2 (C20 H14 F2 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(scc1)c1N(Cc(cc1)ccc1F)S1(=O)=O)/C1=C/Nc1cc(F)ccc1

InChI

InChI=1S/C20H14F2N2O3S2/c21-14-6-4-13(5-7-14)12-24-17-8-9-28-20(17)19(25)18(29(24,26)27)11-23-16-3-1-2-15(22)10-16/h1-11,23H,12H2

InChI Key

SPQVMGCIWYRLNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.33

Polar Surface Area

56.528

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with E953-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E953-0321?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E953-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0321
  • 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 E953-0321 available by request