4477-0023 Screening compound: (1Z)-4,4-dimethyl-N-(4-methylphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

4477-0023 Screening compound: (1Z)-4,4-dimethyl-N-(4-methylphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
4477-0023 Screening compound: (1Z)-4,4-dimethyl-N-(4-methylphenyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0023
(1Z)-4,4-dimethyl-N-(4-methylphenyl)-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

4477-0023

Molecular Formula

C19H18N2S2 (C19 H18 N2 S2)

Compound Name

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

IUPAC name

(1Z)-44-dimethyl-N-(4-methylphenyl)-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CC1(C)Nc(cccc2)c2C2=C1SS/C2=N\c1ccc(C)cc1

InChI

InChI=1S/C19H18N2S2/c1-12-8-10-13(11-9-12)20-18-16-14-6-4-5-7-15(14)21-19(2,3)17(16)22-23-18/h4-11,21H,1-3H3

InChI Key

AFEVYARUZRGHLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00634859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.020

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-4.66

Polar Surface Area

19.624

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4477-0023 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 4477-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0023?
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What is the minimum amount of 4477-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0023
  • 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 4477-0023 available by request