7840-3885 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide

7840-3885 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide
7840-3885 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3885
N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide

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

7840-3885

Molecular Formula

C26H22N4O (C26 H22 N4 O)

Compound Name

N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide

IUPAC name

N-[2-(4-ethylphenyl)-6-methyl-2H-123-benzotriazol-5-yl]naphthalene-1-carboxamide

SMILES

CCc(cc1)ccc1-n1nc(cc(c(C)c2)NC(c3cccc4ccccc34)=O)c2n1

InChI

InChI=1S/C26H22N4O/c1-3-18-11-13-20(14-12-18)30-28-24-15-17(2)23(16-25(24)29-30)27-26(31)22-10-6-8-19-7-4-5-9-21(19)22/h4-16H,3H2,1-2H3,(H,27,31)

InChI Key

SCPAYDQJVWCLLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05851175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.060

Distribution Coefficient, logD

6.060

Water Solubility, LogSw

-6.48

Polar Surface Area

46.394

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

7840-3885 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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 7840-3885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3885?
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What is the minimum amount of 7840-3885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3885
  • 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 7840-3885 available by request