Y020-5075 Screening compound: (1Z)-N-{[1,1'-biphenyl]-4-yl}-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

Y020-5075 Screening compound: (1Z)-N-{[1,1'-biphenyl]-4-yl}-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine
Y020-5075 Screening compound: (1Z)-N-{[1,1'-biphenyl]-4-yl}-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5075
(1Z)-N-{[1,1'-biphenyl]-4-yl}-4,4,7-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

Y020-5075

Molecular Formula

C25H22N2S2 (C25 H22 N2 S2)

Compound Name

(1Z)-N-{[1,1'-biphenyl]-4-yl}-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-imine

IUPAC name

(1Z)-N-{[11'-biphenyl]-4-yl}-447-trimethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-imine

SMILES

CC1(C)Nc(cc(C)cc2)c2C2=C1SS/C2=N\c(cc1)ccc1-c1ccccc1

InChI

InChI=1S/C25H22N2S2/c1-16-9-14-20-21(15-16)27-25(2,3)23-22(20)24(29-28-23)26-19-12-10-18(11-13-19)17-7-5-4-6-8-17/h4-15,27H,1-3H3

InChI Key

JRMQBHJBZCDZSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01859399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.394

Distribution Coefficient, logD

6.394

Water Solubility, LogSw

-6.10

Polar Surface Area

19.353

Acid Dissociation Constant (pKa)

19.80

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

Y020-5075 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 Y020-5075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5075?
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What is the minimum amount of Y020-5075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5075
  • 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 Y020-5075 available by request