8010-1981 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-iodobenzamide

8010-1981 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-iodobenzamide
8010-1981 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-iodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1981
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-iodobenzamide

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

8010-1981

Molecular Formula

C21H17IN4O2 (C21 H17 IN4 O2)

Compound Name

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

IUPAC name

N-[2-(4-ethoxyphenyl)-2H-123-benzotriazol-5-yl]-4-iodobenzamide

SMILES

CCOc(cc1)ccc1-n1nc(cc(cc2)NC(c(cc3)ccc3I)=O)c2n1

InChI

InChI=1S/C21H17IN4O2/c1-2-28-18-10-8-17(9-11-18)26-24-19-12-7-16(13-20(19)25-26)23-21(27)14-3-5-15(22)6-4-14/h3-13H,2H2,1H3,(H,23,27)

InChI Key

GHXQXOVTYDDCSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01064067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.3

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

5.875

Distribution Coefficient, logD

5.856

Water Solubility, LogSw

-5.47

Polar Surface Area

54.487

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8010-1981 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 8010-1981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1981?
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What is the minimum amount of 8010-1981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1981
  • 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 8010-1981 available by request