5750-1323 Screening compound: (1E)-5-benzyl-N-(2,4-dimethoxyphenyl)-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

5750-1323 Screening compound: (1E)-5-benzyl-N-(2,4-dimethoxyphenyl)-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
5750-1323 Screening compound: (1E)-5-benzyl-N-(2,4-dimethoxyphenyl)-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-1323
(1E)-5-benzyl-N-(2,4-dimethoxyphenyl)-4,4,8-trimethyl-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

5750-1323

Molecular Formula

C28H28N2O2S2 (C28 H28 N2 O2 S2)

Compound Name

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

IUPAC name

(1E)-5-benzyl-N-(24-dimethoxyphenyl)-448-trimethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CC1(C)N(Cc2ccccc2)c(ccc(C)c2)c2C2=C1SS/C2=N/c(ccc(OC)c1)c1OC

InChI

InChI=1S/C28H28N2O2S2/c1-18-11-14-23-21(15-18)25-26(28(2,3)30(23)17-19-9-7-6-8-10-19)33-34-27(25)29-22-13-12-20(31-4)16-24(22)32-5/h6-16H,17H2,1-5H3

InChI Key

LKRWBGWLHWUDKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01954097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.737

Distribution Coefficient, logD

6.737

Water Solubility, LogSw

-5.86

Polar Surface Area

24.069

Acid Dissociation Constant (pKa)

27.07

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5750-1323 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 5750-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-1323?
Check Price and Availability of 5750-1323, 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 5750-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-1323
  • 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 5750-1323 available by request