3227-0426 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-(naphthalen-2-yloxy)acetamide

3227-0426 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-(naphthalen-2-yloxy)acetamide
3227-0426 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-(naphthalen-2-yloxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3227-0426
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-(naphthalen-2-yloxy)acetamide

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

3227-0426

Molecular Formula

C26H22N4O3 (C26 H22 N4 O3)

Compound Name

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

IUPAC name

N-[2-(4-ethoxyphenyl)-2H-123-benzotriazol-5-yl]-2-(naphthalen-2-yloxy)acetamide

SMILES

CCOc(cc1)ccc1-n1nc(cc(cc2)NC(COc3cc4ccccc4cc3)=O)c2n1

InChI

InChI=1S/C26H22N4O3/c1-2-32-22-12-9-21(10-13-22)30-28-24-14-8-20(16-25(24)29-30)27-26(31)17-33-23-11-7-18-5-3-4-6-19(18)15-23/h3-16H,2,17H2,1H3,(H,27,31)

InChI Key

ZEVDFBFNOSBTLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.888

Distribution Coefficient, logD

5.888

Water Solubility, LogSw

-6.34

Polar Surface Area

61.502

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

3227-0426 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 3227-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3227-0426?
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What is the minimum amount of 3227-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3227-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3227-0426
  • 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 3227-0426 available by request