1306-0302 Screening compound: N-(4-methoxyphenyl)-3-methyl-4-nitro-1H-pyrazol-5-amine

1306-0302 Screening compound: N-(4-methoxyphenyl)-3-methyl-4-nitro-1H-pyrazol-5-amine
1306-0302 Screening compound: N-(4-methoxyphenyl)-3-methyl-4-nitro-1H-pyrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1306-0302
N-(4-methoxyphenyl)-3-methyl-4-nitro-1H-pyrazol-5-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

1306-0302

Molecular Formula

C11H12N4O3 (C11 H12 N4 O3)

Compound Name

N-(4-methoxyphenyl)-3-methyl-4-nitro-1H-pyrazol-5-amine

IUPAC name

N-(4-methoxyphenyl)-3-methyl-4-nitro-1H-pyrazol-5-amine

SMILES

Cc1n[nH]c(Nc(cc2)ccc2OC)c1[N+]([O-])=O

InChI

InChI=1S/C11H12N4O3/c1-7-10(15(16)17)11(14-13-7)12-8-3-5-9(18-2)6-4-8/h3-6H,1-2H3,(H2,12,13,14)

InChI Key

OHAPQWWWLIQUPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00451239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.112

Distribution Coefficient, logD

2.112

Water Solubility, LogSw

-2.71

Polar Surface Area

73.452

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

1306-0302 in Drug Discovery

Included in Screening Libraries

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 1306-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1306-0302?
Check Price and Availability of 1306-0302, 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 1306-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1306-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1306-0302
  • 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 1306-0302 available by request