M049-0756 Screening compound: 4-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[(oxolan-2-yl)methyl]benzamide

M049-0756 Screening compound: 4-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[(oxolan-2-yl)methyl]benzamide
M049-0756 Screening compound: 4-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M049-0756
4-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[(oxolan-2-yl)methyl]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

M049-0756

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

4-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

4-(4-methyl-3-oxo-34-dihydroquinoxalin-2-yl)-N-[(oxolan-2-yl)methyl]benzamide

SMILES

CN(c(cccc1)c1N=C1c(cc2)ccc2C(NCC2OCCC2)=O)C1=O

InChI

InChI=1S/C21H21N3O3/c1-24-18-7-3-2-6-17(18)23-19(21(24)26)14-8-10-15(11-9-14)20(25)22-13-16-5-4-12-27-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,22,25)/t16-/m1/s1

InChI Key

SYINJODDHYSVMT-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD15139634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.364

Distribution Coefficient, logD

1.364

Water Solubility, LogSw

-2.15

Polar Surface Area

56.283

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

M049-0756 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with M049-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M049-0756?
Check Price and Availability of M049-0756, 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 M049-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M049-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M049-0756
  • 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 M049-0756 available by request