C066-1992 Screening compound: 3-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid

C066-1992 Screening compound: 3-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
C066-1992 Screening compound: 3-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1992
3-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid

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

C066-1992

Molecular Formula

C19H18FNO5 (C19 H18 FNO5)

Compound Name

3-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid

IUPAC name

3-(4-fluorophenyl)-67-dimethoxy-2-methyl-1-oxo-1234-tetrahydroisoquinoline-4-carboxylic acid

SMILES

CN(C(C(C(O)=O)c(cc1OC)c2cc1OC)c(cc1)ccc1F)C2=O

InChI

InChI=1S/C19H18FNO5/c1-21-17(10-4-6-11(20)7-5-10)16(19(23)24)12-8-14(25-2)15(26-3)9-13(12)18(21)22/h4-9,16-17H,1-3H3,(H,23,24)

InChI Key

MIKLYYNEIZMHGU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.582

Distribution Coefficient, logD

-1.139

Water Solubility, LogSw

-2.08

Polar Surface Area

59.357

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-8.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.32

C066-1992 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C066-1992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1992?
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What is the minimum amount of C066-1992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1992
  • 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 C066-1992 available by request