L866-2038 Screening compound: N-methyl-3-[3-oxo-4-({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)-3,4-dihydroquinoxalin-2-yl]propanamide

L866-2038 Screening compound: N-methyl-3-[3-oxo-4-({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)-3,4-dihydroquinoxalin-2-yl]propanamide
L866-2038 Screening compound: N-methyl-3-[3-oxo-4-({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)-3,4-dihydroquinoxalin-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L866-2038
N-methyl-3-[3-oxo-4-({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)-3,4-dihydroquinoxalin-2-yl]propanamide

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

L866-2038

Molecular Formula

C22H25N5O5S (C22 H25 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CNC(CCC1=Nc(cccc2)c2N(CC(NCCc(cc2)ccc2S(N)(=O)=O)=O)C1=O)=O

InChI

InChI=1S/C22H25N5O5S/c1-24-20(28)11-10-18-22(30)27(19-5-3-2-4-17(19)26-18)14-21(29)25-13-12-15-6-8-16(9-7-15)33(23,31)32/h2-9H,10-14H2,1H3,(H,24,28)(H,25,29)(H2,23,31,32)

InChI Key

RYXBWCLMWPFFEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27482909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.089

Distribution Coefficient, logD

-1.090

Water Solubility, LogSw

-2.06

Polar Surface Area

122.891

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L866-2038 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Carbonic Anhydrase II Library (4939 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L866-2038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L866-2038?
Check Price and Availability of L866-2038, 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 L866-2038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L866-2038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L866-2038
  • 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 L866-2038 available by request