Y043-5219 Screening compound: [6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl](2,3,4,9-tetrahydro-1H-carbazol-6-yl)methanone

Y043-5219 Screening compound: [6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl](2,3,4,9-tetrahydro-1H-carbazol-6-yl)methanone
Y043-5219 Screening compound: [6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl](2,3,4,9-tetrahydro-1H-carbazol-6-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5219
[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl](2,3,4,9-tetrahydro-1H-carbazol-6-yl)methanone

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

Y043-5219

Molecular Formula

C24H26N2O3 (C24 H26 N2 O3)

Compound Name

[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl](2,3,4,9-tetrahydro-1H-carbazol-6-yl)methanone

IUPAC name

6-(67-dimethoxy-1234-tetrahydroisoquinoline-2-carbonyl)-2349-tetrahydro-1H-carbazole

SMILES

COc1cc(CCN(C2)C(c(cc3)cc4c3[nH]c3c4CCCC3)=O)c2cc1OC

InChI

InChI=1S/C24H26N2O3/c1-28-22-12-15-9-10-26(14-17(15)13-23(22)29-2)24(27)16-7-8-21-19(11-16)18-5-3-4-6-20(18)25-21/h7-8,11-13,25H,3-6,9-10,14H2,1-2H3

InChI Key

QVVRBRYNSCFPRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15411009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.281

Distribution Coefficient, logD

3.281

Water Solubility, LogSw

-3.50

Polar Surface Area

42.580

Acid Dissociation Constant (pKa)

17.28

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y043-5219 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 Y043-5219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5219?
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What is the minimum amount of Y043-5219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5219
  • 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 Y043-5219 available by request