3389-0735 Screening compound: 5-(2-chlorobenzoyl)-8-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

3389-0735 Screening compound: 5-(2-chlorobenzoyl)-8-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
3389-0735 Screening compound: 5-(2-chlorobenzoyl)-8-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-0735
5-(2-chlorobenzoyl)-8-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

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

3389-0735

Molecular Formula

C20H16ClNO2S3 (C20 H16 ClNO2 S3)

Compound Name

5-(2-chlorobenzoyl)-8-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

IUPAC name

5-(2-chlorobenzoyl)-8-methoxy-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CC1(C)N(C(c(cccc2)c2Cl)=O)c(ccc(OC)c2)c2C2=C1SSC2=S

InChI

InChI=1S/C20H16ClNO2S3/c1-20(2)17-16(19(25)27-26-17)13-10-11(24-3)8-9-15(13)22(20)18(23)12-6-4-5-7-14(12)21/h4-10H,1-3H3

InChI Key

HJJSXTVEKIQVBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01036806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.944

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-4.99

Polar Surface Area

21.978

Acid Dissociation Constant (pKa)

29.90

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3389-0735 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3389-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-0735?
Check Price and Availability of 3389-0735, 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 3389-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0735
  • 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 3389-0735 available by request