0922-0128 Screening compound: 3-methyl-4-nitro-1H-pyrazole-5-carboxylic acid

0922-0128 Screening compound: 3-methyl-4-nitro-1H-pyrazole-5-carboxylic acid
0922-0128 Screening compound: 3-methyl-4-nitro-1H-pyrazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0922-0128
3-methyl-4-nitro-1H-pyrazole-5-carboxylic acid

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

0922-0128

Molecular Formula

C5H5N3O4 (C5 H5 N3 O4)

Compound Name

3-methyl-4-nitro-1H-pyrazole-5-carboxylic acid

IUPAC name

3-methyl-4-nitro-1H-pyrazole-5-carboxylic acid

SMILES

Cc1n[nH]c(C(O)=O)c1[N+]([O-])=O

InChI

InChI=1S/C5H5N3O4/c1-2-4(8(11)12)3(5(9)10)7-6-2/h1H3,(H,6,7)(H,9,10)

InChI Key

RFGSRUNVFVKCGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

171.11

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.105

Distribution Coefficient, logD

-5.266

Water Solubility, LogSw

-0.56

Polar Surface Area

85.535

Acid Dissociation Constant (pKa)

2.24

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0922-0128 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0922-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0922-0128?
Check Price and Availability of 0922-0128, 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 0922-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0922-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0922-0128
  • 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 0922-0128 available by request