C066-1501 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C066-1501 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C066-1501 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1501
N-(5-chloro-2,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-2-(2-methylpropyl)-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

C066-1501

Molecular Formula

C25H29ClN2O6 (C25 H29 ClN2 O6)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-67-dimethoxy-N-methyl-2-(2-methylpropyl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CC(C)CN(C=C(C(N(C)c(c(OC)c1)cc(Cl)c1OC)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C25H29ClN2O6/c1-14(2)12-28-13-17(15-8-22(33-6)23(34-7)9-16(15)25(28)30)24(29)27(3)19-10-18(26)20(31-4)11-21(19)32-5/h8-11,13-14H,12H2,1-7H3

InChI Key

ZDCXOWNPYKVNHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.47

Polar Surface Area

62.062

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C066-1501 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 C066-1501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1501?
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What is the minimum amount of C066-1501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1501
  • 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 C066-1501 available by request