L866-2042 Screening compound: 3-(4-{[ethyl(3-methylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylpropanamide

L866-2042 Screening compound: 3-(4-{[ethyl(3-methylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylpropanamide
L866-2042 Screening compound: 3-(4-{[ethyl(3-methylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L866-2042
3-(4-{[ethyl(3-methylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylpropanamide

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

L866-2042

Molecular Formula

C23H26N4O3 (C23 H26 N4 O3)

Compound Name

3-(4-{[ethyl(3-methylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylpropanamide

IUPAC name

3-(4-{[ethyl(3-methylphenyl)carbamoyl]methyl}-3-oxo-34-dihydroquinoxalin-2-yl)-N-methylpropanamide

SMILES

CCN(C(CN(c(cccc1)c1N=C1CCC(NC)=O)C1=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C23H26N4O3/c1-4-26(17-9-7-8-16(2)14-17)22(29)15-27-20-11-6-5-10-18(20)25-19(23(27)30)12-13-21(28)24-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,24,28)

InChI Key

GCRCJXWLQHTBTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27482911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.745

Distribution Coefficient, logD

1.745

Water Solubility, LogSw

-2.40

Polar Surface Area

63.067

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L866-2042 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 L866-2042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L866-2042?
Check Price and Availability of L866-2042, 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 L866-2042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L866-2042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L866-2042
  • 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 L866-2042 available by request