L867-0438 Screening compound: 2-oxooxolan-3-yl 2-(4-ethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

L867-0438 Screening compound: 2-oxooxolan-3-yl 2-(4-ethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
L867-0438 Screening compound: 2-oxooxolan-3-yl 2-(4-ethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L867-0438
2-oxooxolan-3-yl 2-(4-ethoxyphenyl)-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

L867-0438

Molecular Formula

C22H19NO6 (C22 H19 NO6)

Compound Name

2-oxooxolan-3-yl 2-(4-ethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

IUPAC name

2-oxooxolan-3-yl 2-(4-ethoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxylate

SMILES

CCOc(cc1)ccc1N(C=C(C(OC(CCO1)C1=O)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C22H19NO6/c1-2-27-15-9-7-14(8-10-15)23-13-18(16-5-3-4-6-17(16)20(23)24)21(25)29-19-11-12-28-22(19)26/h3-10,13,19H,2,11-12H2,1H3/t19-/m0/s1

InChI Key

ANDAAGGSOIHJJD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15135783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.103

Distribution Coefficient, logD

2.103

Water Solubility, LogSw

-2.71

Polar Surface Area

65.059

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

L867-0438 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 L867-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L867-0438?
Check Price and Availability of L867-0438, 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 L867-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L867-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L867-0438
  • 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 L867-0438 available by request