Y042-5283 Screening compound: 2-(2-methoxyethyl)-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-dihydro-4-isoquinolinecarboxamide

Y042-5283 Screening compound: 2-(2-methoxyethyl)-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-dihydro-4-isoquinolinecarboxamide
Y042-5283 Screening compound: 2-(2-methoxyethyl)-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-dihydro-4-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5283
2-(2-methoxyethyl)-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-dihydro-4-isoquinolinecarboxamide

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

Y042-5283

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

2-(2-methoxyethyl)-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-dihydro-4-isoquinolinecarboxamide

IUPAC name

2-(2-methoxyethyl)-1-oxo-N-(4567-tetrahydro-13-benzothiazol-2-yl)-12-dihydroisoquinoline-4-carboxamide

SMILES

COCCN(C=C(C(Nc1nc(CCCC2)c2s1)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C20H21N3O3S/c1-26-11-10-23-12-15(13-6-2-3-7-14(13)19(23)25)18(24)22-20-21-16-8-4-5-9-17(16)27-20/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,21,22,24)

InChI Key

HLXWXXBPRINIFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19711020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

0.748

Water Solubility, LogSw

-3.63

Polar Surface Area

59.352

Acid Dissociation Constant (pKa)

5.23

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with Y042-5283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5283?
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What is the minimum amount of Y042-5283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5283
  • 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 Y042-5283 available by request