E953-0476 Screening compound: 3-[(Z)-1-(cyclopentylamino)methylidene]-1-(3-fluorobenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

E953-0476 Screening compound: 3-[(Z)-1-(cyclopentylamino)methylidene]-1-(3-fluorobenzyl)-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione
E953-0476 Screening compound: 3-[(Z)-1-(cyclopentylamino)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 E953-0476
3-[(Z)-1-(cyclopentylamino)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

E953-0476

Molecular Formula

C19H19FN2O3S2 (C19 H19 FN2 O3 S2)

Compound Name

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

IUPAC name

(3Z)-3-[(cyclopentylamino)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/NC1CCCC1

InChI

InChI=1S/C19H19FN2O3S2/c20-14-5-3-4-13(10-14)12-22-16-8-9-26-19(16)18(23)17(27(22,24)25)11-21-15-6-1-2-7-15/h3-5,8-11,15,21H,1-2,6-7,12H2

InChI Key

NMDJAHGYWLVGAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.5

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

3.824

Distribution Coefficient, logD

3.824

Water Solubility, LogSw

-4.04

Polar Surface Area

57.941

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with E953-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E953-0476?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E953-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0476
  • 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 E953-0476 available by request