M049-1546 Screening compound: ethyl 1-{4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzoyl}piperidine-4-carboxylate

M049-1546 Screening compound: ethyl 1-{4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzoyl}piperidine-4-carboxylate
M049-1546 Screening compound: ethyl 1-{4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzoyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M049-1546
ethyl 1-{4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzoyl}piperidine-4-carboxylate

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

M049-1546

Molecular Formula

C27H31N3O4 (C27 H31 N3 O4)

Compound Name

ethyl 1-{4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzoyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{4-[4-(2-methylpropyl)-3-oxo-34-dihydroquinoxalin-2-yl]benzoyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(cc1)ccc1C1=Nc(cccc2)c2N(CC(C)C)C1=O)=O)=O

InChI

InChI=1S/C27H31N3O4/c1-4-34-27(33)21-13-15-29(16-14-21)25(31)20-11-9-19(10-12-20)24-26(32)30(17-18(2)3)23-8-6-5-7-22(23)28-24/h5-12,18,21H,4,13-17H2,1-3H3

InChI Key

QGRBSQHGKOTRPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-3.66

Polar Surface Area

60.852

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

M049-1546 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M049-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M049-1546?
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What is the minimum amount of M049-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M049-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M049-1546
  • 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 M049-1546 available by request