7840-3859 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methyl-4-nitrobenzamide

7840-3859 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methyl-4-nitrobenzamide
7840-3859 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3859
N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methyl-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

7840-3859

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

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

IUPAC name

N-[2-(4-ethylphenyl)-6-methyl-2H-123-benzotriazol-5-yl]-3-methyl-4-nitrobenzamide

SMILES

CCc(cc1)ccc1-n1nc(cc(c(C)c2)NC(c(cc3)cc(C)c3[N+]([O-])=O)=O)c2n1

InChI

InChI=1S/C23H21N5O3/c1-4-16-5-8-18(9-6-16)27-25-20-12-14(2)19(13-21(20)26-27)24-23(29)17-7-10-22(28(30)31)15(3)11-17/h5-13H,4H2,1-3H3,(H,24,29)

InChI Key

XESLQGBZNJVMQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05851149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

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

5.526

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.35

Polar Surface Area

79.747

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 7840-3859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3859?
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What is the minimum amount of 7840-3859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3859
  • 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 7840-3859 available by request