M049-0118 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-ethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)benzamide

M049-0118 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-ethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)benzamide
M049-0118 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-ethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M049-0118
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-ethyl-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

M049-0118

Molecular Formula

C25H27N3O2 (C25 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cccc1)c1N=C1c(cc2)ccc2C(NCCC2=CCCCC2)=O)C1=O

InChI

InChI=1S/C25H27N3O2/c1-2-28-22-11-7-6-10-21(22)27-23(25(28)30)19-12-14-20(15-13-19)24(29)26-17-16-18-8-4-3-5-9-18/h6-8,10-15H,2-5,9,16-17H2,1H3,(H,26,29)

InChI Key

PCAVNLXZDNCGIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

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

3.681

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-3.85

Polar Surface Area

47.621

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M049-0118 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with M049-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M049-0118?
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What is the minimum amount of M049-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M049-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M049-0118
  • 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 M049-0118 available by request