Y043-4189 Screening compound: (4-chloro-1H-indol-2-yl)[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]methanone

Y043-4189 Screening compound: (4-chloro-1H-indol-2-yl)[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]methanone
Y043-4189 Screening compound: (4-chloro-1H-indol-2-yl)[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4189
(4-chloro-1H-indol-2-yl)[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]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

Y043-4189

Molecular Formula

C20H19ClN2O3 (C20 H19 ClN2 O3)

Compound Name

(4-chloro-1H-indol-2-yl)[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]methanone

IUPAC name

2-(4-chloro-1H-indole-2-carbonyl)-67-dimethoxy-1234-tetrahydroisoquinoline

SMILES

COc1cc(CCN(C2)C(c([nH]c3ccc4)cc3c4Cl)=O)c2cc1OC

InChI

InChI=1S/C20H19ClN2O3/c1-25-18-8-12-6-7-23(11-13(12)9-19(18)26-2)20(24)17-10-14-15(21)4-3-5-16(14)22-17/h3-5,8-10,22H,6-7,11H2,1-2H3

InChI Key

WWFPVDTUCBICIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28051744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

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

4.017

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.34

Polar Surface Area

41.159

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y043-4189 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-4189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4189?
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What is the minimum amount of Y043-4189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4189
  • 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 Y043-4189 available by request