C168-0188 Screening compound: 2-ethyl-4-(2-ethylpiperidine-1-carbonyl)-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one

C168-0188 Screening compound: 2-ethyl-4-(2-ethylpiperidine-1-carbonyl)-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one
C168-0188 Screening compound: 2-ethyl-4-(2-ethylpiperidine-1-carbonyl)-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0188
2-ethyl-4-(2-ethylpiperidine-1-carbonyl)-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one

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

C168-0188

Molecular Formula

C21H28N2O4 (C21 H28 N2 O4)

Compound Name

2-ethyl-4-(2-ethylpiperidine-1-carbonyl)-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one

IUPAC name

2-ethyl-4-(2-ethylpiperidine-1-carbonyl)-67-dimethoxy-12-dihydroisoquinolin-1-one

SMILES

CCC(CCCC1)N1C(C(c(cc1OC)c2cc1OC)=CN(CC)C2=O)=O

InChI

InChI=1S/C21H28N2O4/c1-5-14-9-7-8-10-23(14)21(25)17-13-22(6-2)20(24)16-12-19(27-4)18(26-3)11-15(16)17/h11-14H,5-10H2,1-4H3/t14-/m0/s1

InChI Key

FVVSHCGOOHTVGU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14723661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

2.680

Water Solubility, LogSw

-2.75

Polar Surface Area

47.752

Acid Dissociation Constant (pKa)

26.74

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

C168-0188 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C168-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0188?
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What is the minimum amount of C168-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0188
  • 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 C168-0188 available by request