1204-0025 Screening compound: 4-nitro-N-(prop-2-yn-1-yl)aniline

1204-0025 Screening compound: 4-nitro-N-(prop-2-yn-1-yl)aniline
1204-0025 Screening compound: 4-nitro-N-(prop-2-yn-1-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1204-0025
4-nitro-N-(prop-2-yn-1-yl)aniline

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

1204-0025

Molecular Formula

C9H8N2O2 (C9 H8 N2 O2)

Compound Name

4-nitro-N-(prop-2-yn-1-yl)aniline

IUPAC name

4-nitro-N-(prop-2-yn-1-yl)aniline

SMILES

C#CCNc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C9H8N2O2/c1-2-7-10-8-3-5-9(6-4-8)11(12)13/h1,3-6,10H,7H2

InChI Key

FNALKGUNVUXPQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00494135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

176.17

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.026

Distribution Coefficient, logD

2.026

Water Solubility, LogSw

-2.48

Polar Surface Area

43.968

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1204-0025 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1204-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1204-0025?
Check Price and Availability of 1204-0025, 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 1204-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1204-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1204-0025
  • 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 1204-0025 available by request