1611-4872 Screening compound: (5E)-3-(3-methoxypropyl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

1611-4872 Screening compound: (5E)-3-(3-methoxypropyl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
1611-4872 Screening compound: (5E)-3-(3-methoxypropyl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-4872
(5E)-3-(3-methoxypropyl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

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

1611-4872

Molecular Formula

C12H13NO2S3 (C12 H13 NO2 S3)

Compound Name

(5E)-3-(3-methoxypropyl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-(3-methoxypropyl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-13-thiazolidin-4-one

SMILES

COCCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S

InChI

InChI=1S/C12H13NO2S3/c1-15-6-3-5-13-11(14)10(18-12(13)16)8-9-4-2-7-17-9/h2,4,7-8H,3,5-6H2,1H3

InChI Key

DWXHCVUPBSFIKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.682

Distribution Coefficient, logD

2.682

Water Solubility, LogSw

-2.74

Polar Surface Area

26.053

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1611-4872 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 1611-4872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4872
  • 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 1611-4872 available by request