1812-1566 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide

1812-1566 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide
1812-1566 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1812-1566
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-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

1812-1566

Molecular Formula

C25H20N4O2 (C25 H20 N4 O2)

Compound Name

N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide

IUPAC name

N-[2-(4-ethoxyphenyl)-2H-123-benzotriazol-5-yl]naphthalene-1-carboxamide

SMILES

CCOc(cc1)ccc1-n1nc(cc(cc2)NC(c3cccc4ccccc34)=O)c2n1

InChI

InChI=1S/C25H20N4O2/c1-2-31-20-13-11-19(12-14-20)29-27-23-15-10-18(16-24(23)28-29)26-25(30)22-9-5-7-17-6-3-4-8-21(17)22/h3-16H,2H2,1H3,(H,26,30)

InChI Key

GYZRDDLXXUQUHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01064157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.616

Distribution Coefficient, logD

5.616

Water Solubility, LogSw

-6.46

Polar Surface Area

54.216

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

1812-1566 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 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 1812-1566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1812-1566?
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What is the minimum amount of 1812-1566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1812-1566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1812-1566
  • 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 1812-1566 available by request