2468-3682 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-methoxybenzamide

2468-3682 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-methoxybenzamide
2468-3682 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2468-3682
N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-methoxybenzamide

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

2468-3682

Molecular Formula

C21H17ClN4O3 (C21 H17 ClN4 O3)

Compound Name

N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-methoxybenzamide

IUPAC name

N-[2-(3-chloro-4-methoxyphenyl)-2H-123-benzotriazol-5-yl]-3-methoxybenzamide

SMILES

COc1cccc(C(Nc2cc3nn(-c(cc4)cc(Cl)c4OC)nc3cc2)=O)c1

InChI

InChI=1S/C21H17ClN4O3/c1-28-16-5-3-4-13(10-16)21(27)23-14-6-8-18-19(11-14)25-26(24-18)15-7-9-20(29-2)17(22)12-15/h3-12H,1-2H3,(H,23,27)

InChI Key

UVAHYYBVXHFFPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09454077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.702

Distribution Coefficient, logD

4.698

Water Solubility, LogSw

-5.06

Polar Surface Area

62.538

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

2468-3682 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 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 2468-3682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2468-3682?
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What is the minimum amount of 2468-3682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2468-3682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2468-3682
  • 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 2468-3682 available by request