2154-0406 Screening compound: 2-chloro-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-5-nitrobenzamide

2154-0406 Screening compound: 2-chloro-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-5-nitrobenzamide
2154-0406 Screening compound: 2-chloro-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0406
2-chloro-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-5-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

2154-0406

Molecular Formula

C20H14ClN5O3 (C20 H14 ClN5 O3)

Compound Name

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

IUPAC name

2-chloro-N-[2-(4-methylphenyl)-2H-123-benzotriazol-5-yl]-5-nitrobenzamide

SMILES

Cc(cc1)ccc1-n1nc(cc(cc2)NC(c(cc(cc3)[N+]([O-])=O)c3Cl)=O)c2n1

InChI

InChI=1S/C20H14ClN5O3/c1-12-2-5-14(6-3-12)25-23-18-9-4-13(10-19(18)24-25)22-20(27)16-11-15(26(28)29)7-8-17(16)21/h2-11H,1H3,(H,22,27)

InChI Key

XGSIQFITHSRNIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.82

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

5.191

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-5.58

Polar Surface Area

80.745

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

2154-0406 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2154-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0406?
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What is the minimum amount of 2154-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0406
  • 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 2154-0406 available by request