C798-0685 Screening compound: 5-chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole

C798-0685 Screening compound: 5-chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole
C798-0685 Screening compound: 5-chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0685
5-chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole

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

C798-0685

Molecular Formula

C10H8ClN3O2 (C10 H8 ClN3 O2)

Compound Name

5-chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole

IUPAC name

5-chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole

SMILES

Cc(c([N+]([O-])=O)c1Cl)nn1-c1ccccc1

InChI

InChI=1S/C10H8ClN3O2/c1-7-9(14(15)16)10(11)13(12-7)8-5-3-2-4-6-8/h2-6H,1H3

InChI Key

YYQDMDSWWOTGCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01109227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.360

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-2.75

Polar Surface Area

47.818

Acid Dissociation Constant (pKa)

31.01

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C798-0685 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C798-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0685?
Check Price and Availability of C798-0685, 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 C798-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0685
  • 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 C798-0685 available by request