K504-4016 Screening compound: 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

K504-4016 Screening compound: 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
K504-4016 Screening compound: 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K504-4016
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

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

K504-4016

Molecular Formula

C14H12ClF3N6O5 (C14 H12 ClF3 N6 O5)

Compound Name

2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

IUPAC name

2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

SMILES

Cc(n(CC(NN(C)c(ccc(C(F)(F)F)c1)c1[N+]([O-])=O)=O)nc1[N+]([O-])=O)c1Cl

InChI

InChI=1S/C14H12ClF3N6O5/c1-7-12(15)13(24(28)29)20-22(7)6-11(25)19-21(2)9-4-3-8(14(16,17)18)5-10(9)23(26)27/h3-5H,6H2,1-2H3,(H,19,25)

InChI Key

MAAWECZMQHDFAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.73

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.030

Distribution Coefficient, logD

1.902

Water Solubility, LogSw

-3.51

Polar Surface Area

107.829

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with K504-4016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K504-4016?
Check Price and Availability of K504-4016, 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 K504-4016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K504-4016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K504-4016
  • 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 K504-4016 available by request