3205-0961 Screening compound: 2-chloro-N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

3205-0961 Screening compound: 2-chloro-N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide
3205-0961 Screening compound: 2-chloro-N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3205-0961
2-chloro-N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

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

3205-0961

Molecular Formula

C21H17ClN4O2 (C21 H17 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1nc(cc(cc2)NC(c(cccc3)c3Cl)=O)c2n1

InChI

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

InChI Key

RATXQNGWNOVJQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063987

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

5.119

Distribution Coefficient, logD

5.005

Water Solubility, LogSw

-5.35

Polar Surface Area

54.487

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

3205-0961 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 3205-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3205-0961?
Check Price and Availability of 3205-0961, 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 3205-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3205-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3205-0961
  • 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 3205-0961 available by request