C547-0031 Screening compound: N-(butan-2-yl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide

C547-0031 Screening compound: N-(butan-2-yl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
C547-0031 Screening compound: N-(butan-2-yl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0031
N-(butan-2-yl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]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

C547-0031

Molecular Formula

C16H20N2O3 (C16 H20 N2 O3)

Compound Name

N-(butan-2-yl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide

IUPAC name

N-(butan-2-yl)-2-[(1-methyl-2-oxo-12-dihydroquinolin-4-yl)oxy]acetamide

SMILES

CCC(C)NC(COC(c(cccc1)c1N1C)=CC1=O)=O

InChI

InChI=1S/C16H20N2O3/c1-4-11(2)17-15(19)10-21-14-9-16(20)18(3)13-8-6-5-7-12(13)14/h5-9,11H,4,10H2,1-3H3,(H,17,19)/t11-/m0/s1

InChI Key

FDMXIVWIJZLIKH-NSHDSACASA-N

MDL Number (MFCD)

MFCD14768782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.512

Distribution Coefficient, logD

1.512

Water Solubility, LogSw

-2.34

Polar Surface Area

46.759

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C547-0031 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C547-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0031?
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What is the minimum amount of C547-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0031
  • 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 C547-0031 available by request