Y043-0415 Screening compound: 3-(4-methoxyphenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

Y043-0415 Screening compound: 3-(4-methoxyphenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide
Y043-0415 Screening compound: 3-(4-methoxyphenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0415
3-(4-methoxyphenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,2,3,4-tetrahydro-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

Y043-0415

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

3-(4-methoxyphenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

IUPAC name

3-(4-methoxyphenyl)-2-methyl-N-(4-methyl-13-thiazol-2-yl)-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

Cc1csc(NC(C(C(c(cc2)ccc2OC)N2C)c(cccc3)c3C2=O)=O)n1

InChI

InChI=1S/C22H21N3O3S/c1-13-12-29-22(23-13)24-20(26)18-16-6-4-5-7-17(16)21(27)25(2)19(18)14-8-10-15(28-3)11-9-14/h4-12,18-19H,1-3H3,(H,23,24,26)

InChI Key

QNMDHKOULMRKOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16623380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.392

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-3.84

Polar Surface Area

56.176

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.73

Y043-0415 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0415?
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What is the minimum amount of Y043-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0415
  • 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 Y043-0415 available by request