L806-0336 Screening compound: 2-[1-(4-methoxyphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline

L806-0336 Screening compound: 2-[1-(4-methoxyphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline
L806-0336 Screening compound: 2-[1-(4-methoxyphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-0336
2-[1-(4-methoxyphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

L806-0336

Molecular Formula

C24H21N5O2 (C24 H21 N5 O2)

Compound Name

2-[1-(4-methoxyphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[1-(4-methoxyphenyl)-5-(pyridin-3-yl)-1H-123-triazole-4-carbonyl]-1234-tetrahydroisoquinoline

SMILES

COc(cc1)ccc1-n1nnc(C(N(CC2)Cc3c2cccc3)=O)c1-c1cnccc1

InChI

InChI=1S/C24H21N5O2/c1-31-21-10-8-20(9-11-21)29-23(18-7-4-13-25-15-18)22(26-27-29)24(30)28-14-12-17-5-2-3-6-19(17)16-28/h2-11,13,15H,12,14,16H2,1H3

InChI Key

GUAMKHQMHFSKFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.104

Distribution Coefficient, logD

3.104

Water Solubility, LogSw

-2.84

Polar Surface Area

59.211

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L806-0336 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Immunological Library (6760 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L806-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-0336?
Check Price and Availability of L806-0336, 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 L806-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-0336
  • 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 L806-0336 available by request