0781-2626 Screening compound: 2-chloro-5-nitroaniline

0781-2626 Screening compound: 2-chloro-5-nitroaniline
0781-2626 Screening compound: 2-chloro-5-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2626
2-chloro-5-nitroaniline

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

0781-2626

Molecular Formula

C6H5ClN2O2 (C6 H5 ClN2 O2)

Compound Name

2-chloro-5-nitroaniline

IUPAC name

2-chloro-5-nitroaniline

SMILES

Nc(cc(cc1)[N+]([O-])=O)c1Cl

InChI

InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2

InChI Key

KWIXNFOTNVKIGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00007668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

172.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.041

Distribution Coefficient, logD

2.041

Water Solubility, LogSw

-2.65

Polar Surface Area

53.716

Acid Dissociation Constant (pKa)

17.90

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0781-2626 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0781-2626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2626?
Check Price and Availability of 0781-2626, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0781-2626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2626
  • 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 0781-2626 available by request