E953-0054 Screening compound: 1-benzyl-3-{(Z)-1-[(3-methoxypropyl)amino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

E953-0054 Screening compound: 1-benzyl-3-{(Z)-1-[(3-methoxypropyl)amino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione
E953-0054 Screening compound: 1-benzyl-3-{(Z)-1-[(3-methoxypropyl)amino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound E953-0054
1-benzyl-3-{(Z)-1-[(3-methoxypropyl)amino]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

E953-0054

Molecular Formula

C18H20N2O4S2 (C18 H20 N2 O4 S2)

Compound Name

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

IUPAC name

(3Z)-1-benzyl-3-{[(3-methoxypropyl)amino]methylidene}-1H3H4H-2lambda6-thieno[32-c][12]thiazine-224-trione

SMILES

COCCCN/C=C(/C(c(scc1)c1N1Cc2ccccc2)=O)\S1(=O)=O

InChI

InChI=1S/C18H20N2O4S2/c1-24-10-5-9-19-12-16-17(21)18-15(8-11-25-18)20(26(16,22)23)13-14-6-3-2-4-7-14/h2-4,6-8,11-12,19H,5,9-10,13H2,1H3

InChI Key

QSPGINOWQHVEQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.193

Distribution Coefficient, logD

2.193

Water Solubility, LogSw

-2.76

Polar Surface Area

66.514

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with E953-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E953-0054?
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What is the minimum amount of E953-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E953-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0054
  • 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 E953-0054 available by request