C154-0145 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C154-0145 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C154-0145 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C154-0145
N-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

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

C154-0145

Molecular Formula

C21H26N2O4 (C21 H26 N2 O4)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-67-dimethoxy-2-methyl-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CN(C=C(C(NCCC1=CCCCC1)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C21H26N2O4/c1-23-13-17(20(24)22-10-9-14-7-5-4-6-8-14)15-11-18(26-2)19(27-3)12-16(15)21(23)25/h7,11-13H,4-6,8-10H2,1-3H3,(H,22,24)

InChI Key

WQXJCOXLBMPZEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.072

Distribution Coefficient, logD

2.072

Water Solubility, LogSw

-2.67

Polar Surface Area

55.895

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C154-0145 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C154-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C154-0145?
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What is the minimum amount of C154-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C154-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C154-0145
  • 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 C154-0145 available by request