8019-4104 Screening compound: methyl 6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate

8019-4104 Screening compound: methyl 6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate
8019-4104 Screening compound: methyl 6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4104
methyl 6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate

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

8019-4104

Molecular Formula

C19H20N2O6 (C19 H20 N2 O6)

Compound Name

methyl 6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate

IUPAC name

methyl 67-dimethoxy-1-(2-nitrophenyl)-1234-tetrahydroisoquinoline-2-carboxylate

SMILES

COC(N(CC1)C(c(cccc2)c2[N+]([O-])=O)c(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C19H20N2O6/c1-25-16-10-12-8-9-20(19(22)27-3)18(14(12)11-17(16)26-2)13-6-4-5-7-15(13)21(23)24/h4-7,10-11,18H,8-9H2,1-3H3/t18-/m0/s1

InChI Key

QRVHIAHITXAEKP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09064886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.904

Distribution Coefficient, logD

2.904

Water Solubility, LogSw

-3.48

Polar Surface Area

70.947

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

8019-4104 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8019-4104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4104?
Check Price and Availability of 8019-4104, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8019-4104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4104
  • 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 8019-4104 available by request