2081-0798 Screening compound: N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-nitrobenzamide

2081-0798 Screening compound: N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-nitrobenzamide
2081-0798 Screening compound: N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0798
N-[2-(3-chlorophenyl)-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

2081-0798

Molecular Formula

C19H12ClN5O3 (C19 H12 ClN5 O3)

Compound Name

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

IUPAC name

N-[2-(3-chlorophenyl)-2H-123-benzotriazol-5-yl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc1cc2nn(-c3cccc(Cl)c3)nc2cc1)=O)=O

InChI

InChI=1S/C19H12ClN5O3/c20-13-2-1-3-16(10-13)24-22-17-9-6-14(11-18(17)23-24)21-19(26)12-4-7-15(8-5-12)25(27)28/h1-11H,(H,21,26)

InChI Key

FVBKBVYFSQZAJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.830

Distribution Coefficient, logD

4.808

Water Solubility, LogSw

-5.06

Polar Surface Area

80.745

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2081-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0798?
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What is the minimum amount of 2081-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0798
  • 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 2081-0798 available by request