1990-3823 Screening compound: N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-pyrazole-5-carbohydrazide

1990-3823 Screening compound: N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-pyrazole-5-carbohydrazide
1990-3823 Screening compound: N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1990-3823
N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-pyrazole-5-carbohydrazide

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

1990-3823

Molecular Formula

C12H9N5O5 (C12 H9 N5 O5)

Compound Name

N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-pyrazole-5-carbohydrazide

IUPAC name

N'-[(E)-(6-nitro-2H-13-benzodioxol-5-yl)methylidene]-1H-pyrazole-5-carbohydrazide

SMILES

[O-][N+](c1c(/C=N/NC(c2ccn[nH]2)=O)cc2OCOc2c1)=O

InChI

InChI=1S/C12H9N5O5/c18-12(8-1-2-13-15-8)16-14-5-7-3-10-11(22-6-21-10)4-9(7)17(19)20/h1-5H,6H2,(H,13,15)(H,16,18)

InChI Key

DHUIDJDCGJPBDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.549

Distribution Coefficient, logD

1.530

Water Solubility, LogSw

-2.29

Polar Surface Area

109.352

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 1990-3823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1990-3823?
Check Price and Availability of 1990-3823, 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 1990-3823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1990-3823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1990-3823
  • 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 1990-3823 available by request