3257-4136 Screening compound: N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoline-4-carboxamide

3257-4136 Screening compound: N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoline-4-carboxamide
3257-4136 Screening compound: N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-4136
N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoline-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

3257-4136

Molecular Formula

C26H23N3O2 (C26 H23 N3 O2)

Compound Name

N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoline-4-carboxamide

IUPAC name

N-(4-methoxyphenyl)-2-(1234-tetrahydroisoquinolin-2-yl)quinoline-4-carboxamide

SMILES

COc(cc1)ccc1NC(c1cc(N(CC2)Cc3c2cccc3)nc2ccccc12)=O

InChI

InChI=1S/C26H23N3O2/c1-31-21-12-10-20(11-13-21)27-26(30)23-16-25(28-24-9-5-4-8-22(23)24)29-15-14-18-6-2-3-7-19(18)17-29/h2-13,16H,14-15,17H2,1H3,(H,27,30)

InChI Key

PYJNMRXQAWACIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02140002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.816

Distribution Coefficient, logD

5.816

Water Solubility, LogSw

-5.80

Polar Surface Area

41.782

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3257-4136 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3257-4136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-4136?
Check Price and Availability of 3257-4136, 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 3257-4136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-4136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-4136
  • 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 3257-4136 available by request