E953-0437 Screening compound: 3-[(Z)-1-(cyclohexylamino)methylidene]-1-(3-fluorobenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

E953-0437 Screening compound: 3-[(Z)-1-(cyclohexylamino)methylidene]-1-(3-fluorobenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione
E953-0437 Screening compound: 3-[(Z)-1-(cyclohexylamino)methylidene]-1-(3-fluorobenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound E953-0437
3-[(Z)-1-(cyclohexylamino)methylidene]-1-(3-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

E953-0437

Molecular Formula

C20H21FN2O3S2 (C20 H21 FN2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(scc1)c1N(Cc1cc(F)ccc1)S1(=O)=O)/C1=C/NC1CCCCC1

InChI

InChI=1S/C20H21FN2O3S2/c21-15-6-4-5-14(11-15)13-23-17-9-10-27-20(17)19(24)18(28(23,25)26)12-22-16-7-2-1-3-8-16/h4-6,9-12,16,22H,1-3,7-8,13H2

InChI Key

QLSQBUVZMMWWDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

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

4.347

Distribution Coefficient, logD

4.347

Water Solubility, LogSw

-4.33

Polar Surface Area

57.575

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with E953-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E953-0437?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E953-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0437
  • 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 E953-0437 available by request