2019-0033 Screening compound: N-(2-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide

2019-0033 Screening compound: N-(2-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
2019-0033 Screening compound: N-(2-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2019-0033
N-(2-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide

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

2019-0033

Molecular Formula

C11H9ClN4O3 (C11 H9 ClN4 O3)

Compound Name

N-(2-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide

IUPAC name

N-(2-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide

SMILES

Cn1ncc([N+]([O-])=O)c1C(Nc(cccc1)c1Cl)=O

InChI

InChI=1S/C11H9ClN4O3/c1-15-10(9(6-13-15)16(18)19)11(17)14-8-5-3-2-4-7(8)12/h2-6H,1H3,(H,14,17)

InChI Key

MDPWWVJXWNBLFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00432353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.707

Distribution Coefficient, logD

1.015

Water Solubility, LogSw

-2.36

Polar Surface Area

69.228

Acid Dissociation Constant (pKa)

6.81

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2019-0033 in Drug Discovery

Included in Screening Libraries

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 2019-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2019-0033?
Check Price and Availability of 2019-0033, 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 2019-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2019-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2019-0033
  • 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 2019-0033 available by request