3205-1051 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-methoxybenzamide

3205-1051 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-methoxybenzamide
3205-1051 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3205-1051
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-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

3205-1051

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1nc(cc(cc2)NC(c(cc3)ccc3OC)=O)c2n1

InChI

InChI=1S/C22H20N4O3/c1-3-29-19-11-7-17(8-12-19)26-24-20-13-6-16(14-21(20)25-26)23-22(27)15-4-9-18(28-2)10-5-15/h4-14H,3H2,1-2H3,(H,23,27)

InChI Key

KQXMPCFGQJTMEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01064077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.639

Water Solubility, LogSw

-4.30

Polar Surface Area

62.031

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3205-1051 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3205-1051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3205-1051?
Check Price and Availability of 3205-1051, 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 3205-1051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3205-1051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3205-1051
  • 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 3205-1051 available by request