C066-5503 Screening compound: propan-2-yl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

C066-5503 Screening compound: propan-2-yl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
C066-5503 Screening compound: propan-2-yl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5503
propan-2-yl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

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

C066-5503

Molecular Formula

C14H15NO3 (C14 H15 NO3)

Compound Name

propan-2-yl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

IUPAC name

propan-2-yl 2-methyl-1-oxo-12-dihydroisoquinoline-4-carboxylate

SMILES

CC(C)OC(C(c1c2cccc1)=CN(C)C2=O)=O

InChI

InChI=1S/C14H15NO3/c1-9(2)18-14(17)12-8-15(3)13(16)11-7-5-4-6-10(11)12/h4-9H,1-3H3

InChI Key

BWCSTINKMCGDSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.494

Distribution Coefficient, logD

1.494

Water Solubility, LogSw

-2.01

Polar Surface Area

36.620

Acid Dissociation Constant (pKa)

29.44

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C066-5503 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C066-5503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5503?
Check Price and Availability of C066-5503, 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 C066-5503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5503
  • 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 C066-5503 available by request