L866-0498 Screening compound: N-cyclopentyl-3-[4-({[(4-methylphenyl)methyl]carbamoyl}methyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]propanamide

L866-0498 Screening compound: N-cyclopentyl-3-[4-({[(4-methylphenyl)methyl]carbamoyl}methyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]propanamide
L866-0498 Screening compound: N-cyclopentyl-3-[4-({[(4-methylphenyl)methyl]carbamoyl}methyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L866-0498
N-cyclopentyl-3-[4-({[(4-methylphenyl)methyl]carbamoyl}methyl)-3-oxo-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

L866-0498

Molecular Formula

C26H30N4O3 (C26 H30 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CN(c(cccc2)c2N=C2CCC(NC3CCCC3)=O)C2=O)=O)cc1

InChI

InChI=1S/C26H30N4O3/c1-18-10-12-19(13-11-18)16-27-25(32)17-30-23-9-5-4-8-21(23)29-22(26(30)33)14-15-24(31)28-20-6-2-3-7-20/h4-5,8-13,20H,2-3,6-7,14-17H2,1H3,(H,27,32)(H,28,31)

InChI Key

YUSLFUZRESUMGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27482871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.858

Distribution Coefficient, logD

2.858

Water Solubility, LogSw

-3.35

Polar Surface Area

72.116

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

L866-0498 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L866-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L866-0498?
Check Price and Availability of L866-0498, 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 L866-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L866-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L866-0498
  • 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 L866-0498 available by request