8290-04114 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-nitrobenzamide

8290-04114 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-nitrobenzamide
8290-04114 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8290-04114
N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-nitrobenzamide

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

8290-04114

Molecular Formula

C22H19N5O3 (C22 H19 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1-n1nc(cc(c(C)c2)NC(c(cc3)ccc3[N+]([O-])=O)=O)c2n1

InChI

InChI=1S/C22H19N5O3/c1-3-15-4-8-17(9-5-15)26-24-20-12-14(2)19(13-21(20)25-26)23-22(28)16-6-10-18(11-7-16)27(29)30/h4-13H,3H2,1-2H3,(H,23,28)

InChI Key

OUMPERCPZVHXSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08592880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.034

Distribution Coefficient, logD

4.997

Water Solubility, LogSw

-4.66

Polar Surface Area

80.048

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 8290-04114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8290-04114?
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What is the minimum amount of 8290-04114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8290-04114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8290-04114
  • 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 8290-04114 available by request