E953-0236 Screening compound: 1-(4-chlorobenzyl)-3-[(Z)-1-(2,4-difluoroanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

E953-0236 Screening compound: 1-(4-chlorobenzyl)-3-[(Z)-1-(2,4-difluoroanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione
E953-0236 Screening compound: 1-(4-chlorobenzyl)-3-[(Z)-1-(2,4-difluoroanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound E953-0236
1-(4-chlorobenzyl)-3-[(Z)-1-(2,4-difluoroanilino)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

E953-0236

Molecular Formula

C20H13ClF2N2O3S2 (C20 H13 ClF2 N2 O3 S2)

Compound Name

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

IUPAC name

(3Z)-1-[(4-chlorophenyl)methyl]-3-{[(24-difluorophenyl)amino]methylidene}-1H3H4H-2lambda6-thieno[32-c][12]thiazine-224-trione

SMILES

O=C(c(scc1)c1N(Cc(cc1)ccc1Cl)S1(=O)=O)/C1=C/Nc(ccc(F)c1)c1F

InChI

InChI=1S/C20H13ClF2N2O3S2/c21-13-3-1-12(2-4-13)11-25-17-7-8-29-20(17)19(26)18(30(25,27)28)10-24-16-6-5-14(22)9-15(16)23/h1-10,24H,11H2

InChI Key

UJYLZDXSWZTHHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.92

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

4.861

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-5.03

Polar Surface Area

55.830

Acid Dissociation Constant (pKa)

7.96

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 E953-0236 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 E953-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0236
  • 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 E953-0236 available by request