C066-1302 Screening compound: N-(3-chlorophenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C066-1302 Screening compound: N-(3-chlorophenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C066-1302 Screening compound: N-(3-chlorophenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1302
N-(3-chlorophenyl)-N-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

C066-1302

Molecular Formula

C21H21ClN2O4 (C21 H21 ClN2 O4)

Compound Name

N-(3-chlorophenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-(3-chlorophenyl)-N-ethyl-67-dimethoxy-2-methyl-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCN(C(C(c(cc1OC)c2cc1OC)=CN(C)C2=O)=O)c1cccc(Cl)c1

InChI

InChI=1S/C21H21ClN2O4/c1-5-24(14-8-6-7-13(22)9-14)21(26)17-12-23(2)20(25)16-11-19(28-4)18(27-3)10-15(16)17/h6-12H,5H2,1-4H3

InChI Key

UGJPJWIDNFXHTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

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

3.148

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-3.38

Polar Surface Area

46.795

Acid Dissociation Constant (pKa)

28.36

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C066-1302 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C066-1302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1302?
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What is the minimum amount of C066-1302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1302
  • 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 C066-1302 available by request