3389-2183 Screening compound: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-{4,4,8-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethan-1-one

3389-2183 Screening compound: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-{4,4,8-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethan-1-one
3389-2183 Screening compound: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-{4,4,8-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-2183
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-{4,4,8-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethan-1-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

3389-2183

Molecular Formula

C18H18N2OS5 (C18 H18 N2 OS5)

Compound Name

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-{4,4,8-trimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}ethan-1-one

IUPAC name

2-(45-dihydro-13-thiazol-2-ylsulfanyl)-1-{448-trimethyl-1-sulfanylidene-1H4H5H-[12]dithiolo[34-c]quinolin-5-yl}ethan-1-one

SMILES

CC1(C)N(C(CSC2=NCCS2)=O)c(ccc(C)c2)c2C2=C1SSC2=S

InChI

InChI=1S/C18H18N2OS5/c1-10-4-5-12-11(8-10)14-15(25-26-16(14)22)18(2,3)20(12)13(21)9-24-17-19-6-7-23-17/h4-5,8H,6-7,9H2,1-3H3

InChI Key

GHNYZHCIEGHOSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.408

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.31

Polar Surface Area

23.621

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

3389-2183 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3389-2183 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3389-2183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-2183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-2183
  • 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 3389-2183 available by request