M498-0035 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,2-dihydroquinolin-1-yl]acetamide

M498-0035 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,2-dihydroquinolin-1-yl]acetamide
M498-0035 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,2-dihydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M498-0035
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,2-dihydroquinolin-1-yl]acetamide

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

M498-0035

Molecular Formula

C22H18N4O5 (C22 H18 N4 O5)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,2-dihydroquinolin-1-yl]acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[4-(3-methyl-124-oxadiazol-5-yl)-2-oxo-12-dihydroquinolin-1-yl]acetamide

SMILES

Cc1noc(C(c(cccc2)c2N2CC(Nc(cc3)cc4c3OCCO4)=O)=CC2=O)n1

InChI

InChI=1S/C22H18N4O5/c1-13-23-22(31-25-13)16-11-21(28)26(17-5-3-2-4-15(16)17)12-20(27)24-14-6-7-18-19(10-14)30-9-8-29-18/h2-7,10-11H,8-9,12H2,1H3,(H,24,27)

InChI Key

IRUIKUSYHNNNCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.259

Distribution Coefficient, logD

1.259

Water Solubility, LogSw

-2.57

Polar Surface Area

85.882

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M498-0035 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M498-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M498-0035?
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What is the minimum amount of M498-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M498-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M498-0035
  • 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 M498-0035 available by request