C066-1425 Screening compound: methyl 3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanoate

C066-1425 Screening compound: methyl 3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanoate
C066-1425 Screening compound: methyl 3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1425
methyl 3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]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

C066-1425

Molecular Formula

C15H16N2O4 (C15 H16 N2 O4)

Compound Name

methyl 3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanoate

IUPAC name

methyl 3-[2-(1-oxo-12-dihydroisoquinolin-2-yl)acetamido]propanoate

SMILES

COC(CCNC(CN(C=Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C15H16N2O4/c1-21-14(19)6-8-16-13(18)10-17-9-7-11-4-2-3-5-12(11)15(17)20/h2-5,7,9H,6,8,10H2,1H3,(H,16,18)

InChI Key

XXRKNXSAQUGVJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.054

Distribution Coefficient, logD

0.054

Water Solubility, LogSw

-2.18

Polar Surface Area

60.845

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with C066-1425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1425?
Check Price and Availability of C066-1425, 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 C066-1425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1425
  • 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 C066-1425 available by request