Y020-5176 Screening compound: (1E)-N-(4-chloro-2-methylphenyl)-4,4,6-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

Y020-5176 Screening compound: (1E)-N-(4-chloro-2-methylphenyl)-4,4,6-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
Y020-5176 Screening compound: (1E)-N-(4-chloro-2-methylphenyl)-4,4,6-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5176
(1E)-N-(4-chloro-2-methylphenyl)-4,4,6-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

Y020-5176

Molecular Formula

C20H19ClN2S2 (C20 H19 ClN2 S2)

Compound Name

(1E)-N-(4-chloro-2-methylphenyl)-4,4,6-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

IUPAC name

(1E)-N-(4-chloro-2-methylphenyl)-446-trimethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CC1(C)Nc(c(C)ccc2)c2C2=C1SS/C2=N/c(cc1)c(C)cc1Cl

InChI

InChI=1S/C20H19ClN2S2/c1-11-6-5-7-14-16-18(20(3,4)23-17(11)14)24-25-19(16)22-15-9-8-13(21)10-12(15)2/h5-10,23H,1-4H3

InChI Key

WXZFEJVIIXVMJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02241123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.97

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

6.146

Distribution Coefficient, logD

6.146

Water Solubility, LogSw

-6.34

Polar Surface Area

16.674

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y020-5176 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-5176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5176?
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What is the minimum amount of Y020-5176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5176
  • 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 Y020-5176 available by request