2081-0806 Screening compound: N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide

2081-0806 Screening compound: N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide
2081-0806 Screening compound: N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0806
N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide

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

2081-0806

Molecular Formula

C21H17ClN4O2 (C21 H17 ClN4 O2)

Compound Name

N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide

IUPAC name

N-[2-(3-chlorophenyl)-2H-123-benzotriazol-5-yl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(Nc1cc2nn(-c3cccc(Cl)c3)nc2cc1)=O

InChI

InChI=1S/C21H17ClN4O2/c1-2-28-18-9-6-14(7-10-18)21(27)23-16-8-11-19-20(13-16)25-26(24-19)17-5-3-4-15(22)12-17/h3-13H,2H2,1H3,(H,23,27)

InChI Key

DLWNNPVKUDXYEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

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

5.273

Distribution Coefficient, logD

5.266

Water Solubility, LogSw

-5.84

Polar Surface Area

54.487

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

2081-0806 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2081-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0806?
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What is the minimum amount of 2081-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0806
  • 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 2081-0806 available by request