Y021-1829 Screening compound: 2-(2-ethoxyphenyl)-6-methoxy-4,4-dimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione

Y021-1829 Screening compound: 2-(2-ethoxyphenyl)-6-methoxy-4,4-dimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione
Y021-1829 Screening compound: 2-(2-ethoxyphenyl)-6-methoxy-4,4-dimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1829
2-(2-ethoxyphenyl)-6-methoxy-4,4-dimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione

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

Y021-1829

Molecular Formula

C21H22N2O2S2 (C21 H22 N2 O2 S2)

Compound Name

2-(2-ethoxyphenyl)-6-methoxy-4,4-dimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione

IUPAC name

2-(2-ethoxyphenyl)-6-methoxy-44-dimethyl-1H2H4H5H-[12]thiazolo[54-c]quinoline-1-thione

SMILES

CCOc(cccc1)c1N(C1=S)SC2=C1c(cccc1OC)c1NC2(C)C

InChI

InChI=1S/C21H22N2O2S2/c1-5-25-15-11-7-6-10-14(15)23-20(26)17-13-9-8-12-16(24-4)18(13)22-21(2,3)19(17)27-23/h6-12,22H,5H2,1-4H3

InChI Key

DUIRVJSILHWMRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05681659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-4.59

Polar Surface Area

26.993

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with Y021-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1829?
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What is the minimum amount of Y021-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1829
  • 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 Y021-1829 available by request