5750-1334 Screening compound: (1E)-4,4,8-trimethyl-N-(4-propoxyphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

5750-1334 Screening compound: (1E)-4,4,8-trimethyl-N-(4-propoxyphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
5750-1334 Screening compound: (1E)-4,4,8-trimethyl-N-(4-propoxyphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-1334
(1E)-4,4,8-trimethyl-N-(4-propoxyphenyl)-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

5750-1334

Molecular Formula

C22H24N2OS2 (C22 H24 N2 OS2)

Compound Name

(1E)-4,4,8-trimethyl-N-(4-propoxyphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

IUPAC name

(1E)-448-trimethyl-N-(4-propoxyphenyl)-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CCCOc(cc1)ccc1/N=C1/SSC2=C1c(cc(C)cc1)c1NC2(C)C

InChI

InChI=1S/C22H24N2OS2/c1-5-12-25-16-9-7-15(8-10-16)23-21-19-17-13-14(2)6-11-18(17)24-22(3,4)20(19)26-27-21/h6-11,13,24H,5,12H2,1-4H3

InChI Key

FFGCQAYKXYOKFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01994656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.020

Distribution Coefficient, logD

6.020

Water Solubility, LogSw

-5.56

Polar Surface Area

27.042

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

5750-1334 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 5750-1334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-1334?
Check Price and Availability of 5750-1334, 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 5750-1334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-1334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-1334
  • 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 5750-1334 available by request