1990-3826 Screening compound: 4-bromo-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-pyrazole-5-carbohydrazide

1990-3826 Screening compound: 4-bromo-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-pyrazole-5-carbohydrazide
1990-3826 Screening compound: 4-bromo-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1990-3826
4-bromo-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

1990-3826

Molecular Formula

C12H8BrN5O5 (C12 H8 BrN5 O5)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1c(/C=N/NC(c([nH]nc2)c2Br)=O)cc2OCOc2c1)=O

InChI

InChI=1S/C12H8BrN5O5/c13-7-4-15-16-11(7)12(19)17-14-3-6-1-9-10(23-5-22-9)2-8(6)18(20)21/h1-4H,5H2,(H,15,16)(H,17,19)

InChI Key

YILYSZCIBFNJSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.13

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

2.200

Distribution Coefficient, logD

2.056

Water Solubility, LogSw

-2.80

Polar Surface Area

110.212

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1990-3826 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1990-3826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1990-3826?
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What is the minimum amount of 1990-3826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1990-3826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1990-3826
  • 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 1990-3826 available by request