3389-1878 Screening compound: ethyl 2-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-oxoacetate

3389-1878 Screening compound: ethyl 2-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-oxoacetate
3389-1878 Screening compound: ethyl 2-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-oxoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-1878
ethyl 2-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-oxoacetate

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

3389-1878

Molecular Formula

C16H15NO3S3 (C16 H15 NO3 S3)

Compound Name

ethyl 2-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-oxoacetate

IUPAC name

ethyl 2-{44-dimethyl-1-sulfanylidene-1H4H5H-[12]dithiolo[34-c]quinolin-5-yl}-2-oxoacetate

SMILES

CCOC(C(N(C1(C)C)c(cccc2)c2C2=C1SSC2=S)=O)=O

InChI

InChI=1S/C16H15NO3S3/c1-4-20-14(19)13(18)17-10-8-6-5-7-9(10)11-12(16(17,2)3)22-23-15(11)21/h5-8H,4H2,1-3H3

InChI Key

NFRPKMWOXXHTLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.255

Distribution Coefficient, logD

3.255

Water Solubility, LogSw

-3.60

Polar Surface Area

35.460

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

3389-1878 in Drug Discovery

Included in Screening Libraries

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 3389-1878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-1878?
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What is the minimum amount of 3389-1878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-1878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-1878
  • 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 3389-1878 available by request