M049-1709 Screening compound: N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzamide

M049-1709 Screening compound: N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzamide
M049-1709 Screening compound: N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M049-1709
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzamide

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

M049-1709

Molecular Formula

C26H33N5O2 (C26 H33 N5 O2)

Compound Name

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzamide

IUPAC name

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(2-methylpropyl)-3-oxo-34-dihydroquinoxalin-2-yl]benzamide

SMILES

CC(C)CN(c(cccc1)c1N=C1c(cc2)ccc2C(NCCN2CCN(C)CC2)=O)C1=O

InChI

InChI=1S/C26H33N5O2/c1-19(2)18-31-23-7-5-4-6-22(23)28-24(26(31)33)20-8-10-21(11-9-20)25(32)27-12-13-30-16-14-29(3)15-17-30/h4-11,19H,12-18H2,1-3H3,(H,27,32)

InChI Key

XRMOSXIJLZPJSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.304

Distribution Coefficient, logD

1.636

Water Solubility, LogSw

-2.72

Polar Surface Area

55.164

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

M049-1709 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M049-1709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M049-1709?
Check Price and Availability of M049-1709, 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 M049-1709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M049-1709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M049-1709
  • 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 M049-1709 available by request