M049-0250 Screening compound: N-(butan-2-yl)-4-(3-oxo-4-propyl-3,4-dihydroquinoxalin-2-yl)benzamide

M049-0250 Screening compound: N-(butan-2-yl)-4-(3-oxo-4-propyl-3,4-dihydroquinoxalin-2-yl)benzamide
M049-0250 Screening compound: N-(butan-2-yl)-4-(3-oxo-4-propyl-3,4-dihydroquinoxalin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M049-0250
N-(butan-2-yl)-4-(3-oxo-4-propyl-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

M049-0250

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

N-(butan-2-yl)-4-(3-oxo-4-propyl-3,4-dihydroquinoxalin-2-yl)benzamide

IUPAC name

N-(butan-2-yl)-4-(3-oxo-4-propyl-34-dihydroquinoxalin-2-yl)benzamide

SMILES

CCCN(c(cccc1)c1N=C1c(cc2)ccc2C(NC(C)CC)=O)C1=O

InChI

InChI=1S/C22H25N3O2/c1-4-14-25-19-9-7-6-8-18(19)24-20(22(25)27)16-10-12-17(13-11-16)21(26)23-15(3)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)/t15-/m0/s1

InChI Key

OPFXQUYAMSWOFD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15139592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

3.186

Water Solubility, LogSw

-3.49

Polar Surface Area

47.554

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

M049-0250 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with M049-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M049-0250?
Check Price and Availability of M049-0250, 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 M049-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M049-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M049-0250
  • 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 M049-0250 available by request