E953-0348 Screening compound: 1-(4-fluorobenzyl)-3-[(Z)-1-(phenethylamino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

E953-0348 Screening compound: 1-(4-fluorobenzyl)-3-[(Z)-1-(phenethylamino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione
E953-0348 Screening compound: 1-(4-fluorobenzyl)-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 E953-0348
1-(4-fluorobenzyl)-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

E953-0348

Molecular Formula

C22H19FN2O3S2 (C22 H19 FN2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(scc1)c1N(Cc(cc1)ccc1F)S1(=O)=O)/C1=C/NCCc1ccccc1

InChI

InChI=1S/C22H19FN2O3S2/c23-18-8-6-17(7-9-18)15-25-19-11-13-29-22(19)21(26)20(30(25,27)28)14-24-12-10-16-4-2-1-3-5-16/h1-9,11,13-14,24H,10,12,15H2

InChI Key

XYMUAHCXJMEJJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.53

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

3.415

Distribution Coefficient, logD

3.415

Water Solubility, LogSw

-3.77

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

13.60

References: we are preparing a list of scientific research reports with E953-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E953-0348?
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What is the minimum amount of E953-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E953-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0348
  • 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 E953-0348 available by request