8010-4582 Screening compound: N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine

8010-4582 Screening compound: N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine
8010-4582 Screening compound: N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4582
N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine

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

8010-4582

Molecular Formula

C13H13N3O3 (C13 H13 N3 O3)

Compound Name

N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine

IUPAC name

N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine

SMILES

COc1ccc(CNc(cc2)ncc2[N+]([O-])=O)cc1

InChI

InChI=1S/C13H13N3O3/c1-19-12-5-2-10(3-6-12)8-14-13-7-4-11(9-15-13)16(17)18/h2-7,9H,8H2,1H3,(H,14,15)

InChI Key

PAXRIVFOZGFVNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02029597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-2.79

Polar Surface Area

61.103

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8010-4582 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-4582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4582?
Check Price and Availability of 8010-4582, 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 8010-4582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4582
  • 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 8010-4582 available by request