1187-1807 Screening compound: 2-amino-5-nitrobenzonitrile

1187-1807 Screening compound: 2-amino-5-nitrobenzonitrile
1187-1807 Screening compound: 2-amino-5-nitrobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-1807
2-amino-5-nitrobenzonitrile

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

1187-1807

Molecular Formula

C7H5N3O2 (C7 H5 N3 O2)

Compound Name

2-amino-5-nitrobenzonitrile

IUPAC name

2-amino-5-nitrobenzonitrile

SMILES

Nc(ccc([N+]([O-])=O)c1)c1C#N

InChI

InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2

InChI Key

MGCGMYPNXAFGFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00007362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

163.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.146

Distribution Coefficient, logD

1.146

Water Solubility, LogSw

-2.22

Polar Surface Area

70.772

Acid Dissociation Constant (pKa)

16.74

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1187-1807 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1187-1807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-1807?
Check Price and Availability of 1187-1807, 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 1187-1807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-1807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-1807
  • 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 1187-1807 available by request