0071-0002 Screening compound: 4-chloro-1-methyl-3,5-dinitro-1H-pyrazole

0071-0002 Screening compound: 4-chloro-1-methyl-3,5-dinitro-1H-pyrazole
0071-0002 Screening compound: 4-chloro-1-methyl-3,5-dinitro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0071-0002
4-chloro-1-methyl-3,5-dinitro-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

0071-0002

Molecular Formula

C4H3ClN4O4 (C4 H3 ClN4 O4)

Compound Name

4-chloro-1-methyl-3,5-dinitro-1H-pyrazole

IUPAC name

4-chloro-1-methyl-35-dinitro-1H-pyrazole

SMILES

Cn(c([N+]([O-])=O)c1Cl)nc1[N+]([O-])=O

InChI

InChI=1S/C4H3ClN4O4/c1-7-4(9(12)13)2(5)3(6-7)8(10)11/h1H3

InChI Key

VKCXIULUEMQTNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00463991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.714

Distribution Coefficient, logD

0.714

Water Solubility, LogSw

-2.09

Polar Surface Area

80.003

Acid Dissociation Constant (pKa)

32.67

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 0071-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0071-0002?
Check Price and Availability of 0071-0002, 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 0071-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0071-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0071-0002
  • 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 0071-0002 available by request