M498-0411 Screening compound: N-(3-cyanophenyl)-2-{2-oxo-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-1-yl}acetamide

M498-0411 Screening compound: N-(3-cyanophenyl)-2-{2-oxo-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-1-yl}acetamide
M498-0411 Screening compound: N-(3-cyanophenyl)-2-{2-oxo-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M498-0411
N-(3-cyanophenyl)-2-{2-oxo-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-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

M498-0411

Molecular Formula

C23H19N5O3 (C23 H19 N5 O3)

Compound Name

N-(3-cyanophenyl)-2-{2-oxo-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-1-yl}acetamide

IUPAC name

N-(3-cyanophenyl)-2-{2-oxo-4-[3-(propan-2-yl)-124-oxadiazol-5-yl]-12-dihydroquinolin-1-yl}acetamide

SMILES

CC(C)c1noc(C(c(cccc2)c2N2CC(Nc3cc(C#N)ccc3)=O)=CC2=O)n1

InChI

InChI=1S/C23H19N5O3/c1-14(2)22-26-23(31-27-22)18-11-21(30)28(19-9-4-3-8-17(18)19)13-20(29)25-16-7-5-6-15(10-16)12-24/h3-11,14H,13H2,1-2H3,(H,25,29)

InChI Key

WRDKZMSPNPKTEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.367

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.85

Polar Surface Area

87.502

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

M498-0411 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 M498-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M498-0411?
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What is the minimum amount of M498-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M498-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M498-0411
  • 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 M498-0411 available by request