8006-9735 Screening compound: (1Z)-8-ethoxy-N-(3-fluorophenyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

8006-9735 Screening compound: (1Z)-8-ethoxy-N-(3-fluorophenyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
8006-9735 Screening compound: (1Z)-8-ethoxy-N-(3-fluorophenyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9735
(1Z)-8-ethoxy-N-(3-fluorophenyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

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

8006-9735

Molecular Formula

C20H19FN2OS2 (C20 H19 FN2 OS2)

Compound Name

(1Z)-8-ethoxy-N-(3-fluorophenyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

IUPAC name

(1Z)-8-ethoxy-N-(3-fluorophenyl)-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CCOc(cc1)cc2c1NC(C)(C)C(SS1)=C2/C1=N/c1cc(F)ccc1

InChI

InChI=1S/C20H19FN2OS2/c1-4-24-14-8-9-16-15(11-14)17-18(20(2,3)23-16)25-26-19(17)22-13-7-5-6-12(21)10-13/h5-11,23H,4H2,1-3H3

InChI Key

VCEZVUPGKKMDPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00622040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.412

Water Solubility, LogSw

-5.55

Polar Surface Area

26.748

Acid Dissociation Constant (pKa)

19.29

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8006-9735 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 8006-9735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9735?
Check Price and Availability of 8006-9735, 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 8006-9735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9735
  • 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 8006-9735 available by request