1682-8791 Screening compound: N-[(2-hydroxynaphthalen-1-yl)(phenyl)methyl]-3,4,5-trimethoxybenzamide

1682-8791 Screening compound: N-[(2-hydroxynaphthalen-1-yl)(phenyl)methyl]-3,4,5-trimethoxybenzamide
1682-8791 Screening compound: N-[(2-hydroxynaphthalen-1-yl)(phenyl)methyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-8791
N-[(2-hydroxynaphthalen-1-yl)(phenyl)methyl]-3,4,5-trimethoxybenzamide

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

1682-8791

Molecular Formula

C27H25NO5 (C27 H25 NO5)

Compound Name

N-[(2-hydroxynaphthalen-1-yl)(phenyl)methyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[(2-hydroxynaphthalen-1-yl)(phenyl)methyl]-345-trimethoxybenzamide

SMILES

COc1cc(C(NC(c2ccccc2)c(c2ccccc2cc2)c2O)=O)cc(OC)c1OC

InChI

InChI=1S/C27H25NO5/c1-31-22-15-19(16-23(32-2)26(22)33-3)27(30)28-25(18-10-5-4-6-11-18)24-20-12-8-7-9-17(20)13-14-21(24)29/h4-16,25,29H,1-3H3,(H,28,30)/t25-/m0/s1

InChI Key

DQCPQSBZPWAWPX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00705657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.824

Water Solubility, LogSw

-5.42

Polar Surface Area

62.987

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

1682-8791 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 1682-8791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-8791?
Check Price and Availability of 1682-8791, 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 1682-8791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-8791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-8791
  • 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 1682-8791 available by request