7001-0077 Screening compound: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)propanoic acid

7001-0077 Screening compound: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)propanoic acid
7001-0077 Screening compound: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7001-0077
3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)propanoic 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

7001-0077

Molecular Formula

C14H19NO4 (C14 H19 NO4)

Compound Name

3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)propanoic acid

IUPAC name

3-(67-dimethoxy-1234-tetrahydroisoquinolin-2-yl)propanoic acid

SMILES

COc1cc(CCN(CCC(O)=O)C2)c2cc1OC

InChI

InChI=1S/C14H19NO4/c1-18-12-7-10-3-5-15(6-4-14(16)17)9-11(10)8-13(12)19-2/h7-8H,3-6,9H2,1-2H3,(H,16,17)

InChI Key

WBSFXIIDLAELJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00431211

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

265.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.580

Distribution Coefficient, logD

0.580

Water Solubility, LogSw

-0.76

Polar Surface Area

47.528

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

9.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

7001-0077 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 7001-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7001-0077?
Check Price and Availability of 7001-0077, 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 7001-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7001-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7001-0077
  • 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 7001-0077 available by request