L866-0453 Screening compound: ethyl 2-(2-{3-[2-(cyclopentylcarbamoyl)ethyl]-2-oxo-1,2-dihydroquinoxalin-1-yl}acetamido)benzoate

L866-0453 Screening compound: ethyl 2-(2-{3-[2-(cyclopentylcarbamoyl)ethyl]-2-oxo-1,2-dihydroquinoxalin-1-yl}acetamido)benzoate
L866-0453 Screening compound: ethyl 2-(2-{3-[2-(cyclopentylcarbamoyl)ethyl]-2-oxo-1,2-dihydroquinoxalin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L866-0453
ethyl 2-(2-{3-[2-(cyclopentylcarbamoyl)ethyl]-2-oxo-1,2-dihydroquinoxalin-1-yl}acetamido)benzoate

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

L866-0453

Molecular Formula

C27H30N4O5 (C27 H30 N4 O5)

Compound Name

ethyl 2-(2-{3-[2-(cyclopentylcarbamoyl)ethyl]-2-oxo-1,2-dihydroquinoxalin-1-yl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{3-[2-(cyclopentylcarbamoyl)ethyl]-2-oxo-12-dihydroquinoxalin-1-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(c(cccc1)c1N=C1CCC(NC2CCCC2)=O)C1=O)=O)=O

InChI

InChI=1S/C27H30N4O5/c1-2-36-27(35)19-11-5-6-12-20(19)30-25(33)17-31-23-14-8-7-13-21(23)29-22(26(31)34)15-16-24(32)28-18-9-3-4-10-18/h5-8,11-14,18H,2-4,9-10,15-17H2,1H3,(H,28,32)(H,30,33)

InChI Key

SXRAGOJTZWORPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27482852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.46

Polar Surface Area

90.850

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

L866-0453 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with L866-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L866-0453?
Check Price and Availability of L866-0453, 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 L866-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L866-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L866-0453
  • 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 L866-0453 available by request