Y020-5181 Screening compound: (1Z)-N-{4-[(4-chlorophenyl)methoxy]phenyl}-6-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

Y020-5181 Screening compound: (1Z)-N-{4-[(4-chlorophenyl)methoxy]phenyl}-6-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
Y020-5181 Screening compound: (1Z)-N-{4-[(4-chlorophenyl)methoxy]phenyl}-6-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5181
(1Z)-N-{4-[(4-chlorophenyl)methoxy]phenyl}-6-methoxy-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

Y020-5181

Molecular Formula

C26H23ClN2O2S2 (C26 H23 ClN2 O2 S2)

Compound Name

(1Z)-N-{4-[(4-chlorophenyl)methoxy]phenyl}-6-methoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

IUPAC name

(1Z)-N-{4-[(4-chlorophenyl)methoxy]phenyl}-6-methoxy-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CC1(C)Nc(c(OC)ccc2)c2C2=C1SS/C2=N\c(cc1)ccc1OCc(cc1)ccc1Cl

InChI

InChI=1S/C26H23ClN2O2S2/c1-26(2)24-22(20-5-4-6-21(30-3)23(20)29-26)25(33-32-24)28-18-11-13-19(14-12-18)31-15-16-7-9-17(27)10-8-16/h4-14,29H,15H2,1-3H3

InChI Key

ALSNLIITFPCKIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02234268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.189

Distribution Coefficient, logD

6.189

Water Solubility, LogSw

-6.31

Polar Surface Area

32.230

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

Y020-5181 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 Y020-5181 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-5181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5181
  • 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 Y020-5181 available by request