4125-0303 Screening compound: 2-(dimethylamino)ethyl 4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanoate

4125-0303 Screening compound: 2-(dimethylamino)ethyl 4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanoate
4125-0303 Screening compound: 2-(dimethylamino)ethyl 4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4125-0303
2-(dimethylamino)ethyl 4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanoate

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

4125-0303

Molecular Formula

C16H20N2O3S3 (C16 H20 N2 O3 S3)

Compound Name

2-(dimethylamino)ethyl 4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanoate

IUPAC name

2-(dimethylamino)ethyl 4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-13-thiazolidin-3-yl]butanoate

SMILES

CN(C)CCOC(CCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)=O

InChI

InChI=1S/C16H20N2O3S3/c1-17(2)8-9-21-14(19)6-3-7-18-15(20)13(24-16(18)22)11-12-5-4-10-23-12/h4-5,10-11H,3,6-9H2,1-2H3

InChI Key

VGILNAVAMRIRBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07414874

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

384.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.961

Distribution Coefficient, logD

0.570

Water Solubility, LogSw

-2.26

Polar Surface Area

42.029

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

4125-0303 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4125-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4125-0303?
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What is the minimum amount of 4125-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4125-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4125-0303
  • 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 4125-0303 available by request