7828-0217 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2,4-dimethylbenzamide

7828-0217 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2,4-dimethylbenzamide
7828-0217 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7828-0217
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2,4-dimethylbenzamide

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

7828-0217

Molecular Formula

C23H22N4O2 (C23 H22 N4 O2)

Compound Name

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

IUPAC name

N-[2-(4-ethoxyphenyl)-2H-123-benzotriazol-5-yl]-24-dimethylbenzamide

SMILES

CCOc(cc1)ccc1-n1nc(cc(cc2)NC(c3c(C)cc(C)cc3)=O)c2n1

InChI

InChI=1S/C23H22N4O2/c1-4-29-19-9-7-18(8-10-19)27-25-21-12-6-17(14-22(21)26-27)24-23(28)20-11-5-15(2)13-16(20)3/h5-14H,4H2,1-3H3,(H,24,28)

InChI Key

BNAQTWPYQLCTEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04041961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

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

5.517

Distribution Coefficient, logD

5.456

Water Solubility, LogSw

-5.34

Polar Surface Area

54.487

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

7828-0217 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7828-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7828-0217?
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What is the minimum amount of 7828-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7828-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7828-0217
  • 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 7828-0217 available by request