E953-0352 Screening compound: 3-{(Z)-1-[(4-chlorobenzyl)amino]methylidene}-1-(4-fluorobenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

E953-0352 Screening compound: 3-{(Z)-1-[(4-chlorobenzyl)amino]methylidene}-1-(4-fluorobenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione
E953-0352 Screening compound: 3-{(Z)-1-[(4-chlorobenzyl)amino]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 E953-0352
3-{(Z)-1-[(4-chlorobenzyl)amino]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

E953-0352

Molecular Formula

C21H16ClFN2O3S2 (C21 H16 ClFN2 O3 S2)

Compound Name

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

IUPAC name

(3Z)-3-({[(4-chlorophenyl)methyl]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/NCc(cc1)ccc1Cl

InChI

InChI=1S/C21H16ClFN2O3S2/c22-16-5-1-14(2-6-16)11-24-12-19-20(26)21-18(9-10-29-21)25(30(19,27)28)13-15-3-7-17(23)8-4-15/h1-10,12,24H,11,13H2

InChI Key

URGXKYYLDREXRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

3.812

Water Solubility, LogSw

-4.43

Polar Surface Area

58.059

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with E953-0352 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 E953-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0352
  • 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 E953-0352 available by request