M498-0418 Screening compound: methyl 4-(2-{2-oxo-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-1-yl}acetamido)benzoate

M498-0418 Screening compound: methyl 4-(2-{2-oxo-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-1-yl}acetamido)benzoate
M498-0418 Screening compound: methyl 4-(2-{2-oxo-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M498-0418
methyl 4-(2-{2-oxo-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-1-yl}acetamido)benzoate

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

M498-0418

Molecular Formula

C24H22N4O5 (C24 H22 N4 O5)

Compound Name

methyl 4-(2-{2-oxo-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-1-yl}acetamido)benzoate

IUPAC name

methyl 4-(2-{2-oxo-4-[3-(propan-2-yl)-124-oxadiazol-5-yl]-12-dihydroquinolin-1-yl}acetamido)benzoate

SMILES

CC(C)c1noc(C(c(cccc2)c2N2CC(Nc(cc3)ccc3C(OC)=O)=O)=CC2=O)n1

InChI

InChI=1S/C24H22N4O5/c1-14(2)22-26-23(33-27-22)18-12-21(30)28(19-7-5-4-6-17(18)19)13-20(29)25-16-10-8-15(9-11-16)24(31)32-3/h4-12,14H,13H2,1-3H3,(H,25,29)

InChI Key

KQDBYLCXSMVGNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20745821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

3.597

Water Solubility, LogSw

-3.89

Polar Surface Area

91.619

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

M498-0418 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M498-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M498-0418?
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What is the minimum amount of M498-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M498-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M498-0418
  • 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 M498-0418 available by request