M049-1644 Screening compound: N-(4-methanesulfonylphenyl)-4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzamide

M049-1644 Screening compound: N-(4-methanesulfonylphenyl)-4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzamide
M049-1644 Screening compound: N-(4-methanesulfonylphenyl)-4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M049-1644
N-(4-methanesulfonylphenyl)-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

M049-1644

Molecular Formula

C26H25N3O4S (C26 H25 N3 O4 S)

Compound Name

N-(4-methanesulfonylphenyl)-4-[4-(2-methylpropyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]benzamide

IUPAC name

N-(4-methanesulfonylphenyl)-4-[4-(2-methylpropyl)-3-oxo-34-dihydroquinoxalin-2-yl]benzamide

SMILES

CC(C)CN(c(cccc1)c1N=C1c(cc2)ccc2C(Nc(cc2)ccc2S(C)(=O)=O)=O)C1=O

InChI

InChI=1S/C26H25N3O4S/c1-17(2)16-29-23-7-5-4-6-22(23)28-24(26(29)31)18-8-10-19(11-9-18)25(30)27-20-12-14-21(15-13-20)34(3,32)33/h4-15,17H,16H2,1-3H3,(H,27,30)

InChI Key

UNNADPYJFLNGNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.469

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.91

Polar Surface Area

76.290

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

M049-1644 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M049-1644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M049-1644?
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What is the minimum amount of M049-1644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M049-1644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M049-1644
  • 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 M049-1644 available by request