3389-0863 Screening compound: 2-(2-{6-methoxy-4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-oxoethyl)-2,3-dihydro-1H-isoindole-1,3-dione

3389-0863 Screening compound: 2-(2-{6-methoxy-4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-oxoethyl)-2,3-dihydro-1H-isoindole-1,3-dione
3389-0863 Screening compound: 2-(2-{6-methoxy-4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-oxoethyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-0863
2-(2-{6-methoxy-4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-oxoethyl)-2,3-dihydro-1H-isoindole-1,3-dione

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

3389-0863

Molecular Formula

C23H18N2O4S3 (C23 H18 N2 O4 S3)

Compound Name

2-(2-{6-methoxy-4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-oxoethyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(2-{6-methoxy-44-dimethyl-1-sulfanylidene-1H4H5H-[12]dithiolo[34-c]quinolin-5-yl}-2-oxoethyl)-23-dihydro-1H-isoindole-13-dione

SMILES

CC1(C)N(C(CN(C(c2c3cccc2)=O)C3=O)=O)c(c(OC)ccc2)c2C2=C1SSC2=S

InChI

InChI=1S/C23H18N2O4S3/c1-23(2)19-17(22(30)32-31-19)14-9-6-10-15(29-3)18(14)25(23)16(26)11-24-20(27)12-7-4-5-8-13(12)21(24)28/h4-10H,11H2,1-3H3

InChI Key

BZRYHAFMCUHYON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.433

Distribution Coefficient, logD

3.433

Water Solubility, LogSw

-3.81

Polar Surface Area

52.219

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

3389-0863 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3389-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-0863?
Check Price and Availability of 3389-0863, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3389-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0863
  • 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 3389-0863 available by request