C066-1407 Screening compound: 2-ethyl-6,7-dimethoxy-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C066-1407 Screening compound: 2-ethyl-6,7-dimethoxy-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C066-1407 Screening compound: 2-ethyl-6,7-dimethoxy-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1407
2-ethyl-6,7-dimethoxy-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-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

C066-1407

Molecular Formula

C28H36N4O5 (C28 H36 N4 O5)

Compound Name

2-ethyl-6,7-dimethoxy-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

2-ethyl-67-dimethoxy-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCN(C=C(C(NCCCN(CC1)CCN1c(cc1)ccc1OC)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C28H36N4O5/c1-5-31-19-24(22-17-25(36-3)26(37-4)18-23(22)28(31)34)27(33)29-11-6-12-30-13-15-32(16-14-30)20-7-9-21(35-2)10-8-20/h7-10,17-19H,5-6,11-16H2,1-4H3,(H,29,33)

InChI Key

HCJCZEWCQJWSGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.375

Distribution Coefficient, logD

1.831

Water Solubility, LogSw

-2.93

Polar Surface Area

70.499

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with C066-1407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1407?
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What is the minimum amount of C066-1407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1407
  • 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 C066-1407 available by request