8009-5649 Screening compound: 2-chloro-N'-(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)-4-nitrobenzohydrazide

8009-5649 Screening compound: 2-chloro-N'-(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)-4-nitrobenzohydrazide
8009-5649 Screening compound: 2-chloro-N'-(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)-4-nitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5649
2-chloro-N'-(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)-4-nitrobenzohydrazide

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

8009-5649

Molecular Formula

C12H9ClN6O6 (C12 H9 ClN6 O6)

Compound Name

2-chloro-N'-(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)-4-nitrobenzohydrazide

IUPAC name

2-chloro-N'-(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)-4-nitrobenzohydrazide

SMILES

Cn1nc(C(NNC(c(ccc([N+]([O-])=O)c2)c2Cl)=O)=O)c([N+]([O-])=O)c1

InChI

InChI=1S/C12H9ClN6O6/c1-17-5-9(19(24)25)10(16-17)12(21)15-14-11(20)7-3-2-6(18(22)23)4-8(7)13/h2-5H,1H3,(H,14,20)(H,15,21)

InChI Key

FIEPATZCLFAOOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.917

Distribution Coefficient, logD

0.334

Water Solubility, LogSw

-2.97

Polar Surface Area

133.252

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8009-5649 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 8009-5649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5649?
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What is the minimum amount of 8009-5649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5649
  • 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 8009-5649 available by request