Y042-5873 Screening compound: methyl 3-({[2-(4-methoxyphenethyl)-1-oxo-1,2-dihydro-4-isoquinolinyl]carbonyl}amino)propanoate

Y042-5873 Screening compound: methyl 3-({[2-(4-methoxyphenethyl)-1-oxo-1,2-dihydro-4-isoquinolinyl]carbonyl}amino)propanoate
Y042-5873 Screening compound: methyl 3-({[2-(4-methoxyphenethyl)-1-oxo-1,2-dihydro-4-isoquinolinyl]carbonyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5873
methyl 3-({[2-(4-methoxyphenethyl)-1-oxo-1,2-dihydro-4-isoquinolinyl]carbonyl}amino)propanoate

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

Y042-5873

Molecular Formula

C23H24N2O5 (C23 H24 N2 O5)

Compound Name

methyl 3-({[2-(4-methoxyphenethyl)-1-oxo-1,2-dihydro-4-isoquinolinyl]carbonyl}amino)propanoate

IUPAC name

methyl 3-({2-[2-(4-methoxyphenyl)ethyl]-1-oxo-12-dihydroisoquinolin-4-yl}formamido)propanoate

SMILES

COC(CCNC(C(c1c2cccc1)=CN(CCc(cc1)ccc1OC)C2=O)=O)=O

InChI

InChI=1S/C23H24N2O5/c1-29-17-9-7-16(8-10-17)12-14-25-15-20(22(27)24-13-11-21(26)30-2)18-5-3-4-6-19(18)23(25)28/h3-10,15H,11-14H2,1-2H3,(H,24,27)

InChI Key

HUBDUTVURWRARI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.783

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-2.44

Polar Surface Area

68.828

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

References: we are preparing a list of scientific research reports with Y042-5873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5873?
Check Price and Availability of Y042-5873, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y042-5873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5873
  • 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 Y042-5873 available by request