1990-3825 Screening compound: 4-bromo-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide

1990-3825 Screening compound: 4-bromo-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
1990-3825 Screening compound: 4-bromo-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1990-3825
4-bromo-N'-[(E)-(2,5-dimethoxyphenyl)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

1990-3825

Molecular Formula

C13H13BrN4O3 (C13 H13 BrN4 O3)

Compound Name

4-bromo-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide

IUPAC name

4-bromo-N'-[(E)-(25-dimethoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide

SMILES

COc(cc1)cc(/C=N/NC(c([nH]nc2)c2Br)=O)c1OC

InChI

InChI=1S/C13H13BrN4O3/c1-20-9-3-4-11(21-2)8(5-9)6-15-18-13(19)12-10(14)7-16-17-12/h3-7H,1-2H3,(H,16,17)(H,18,19)

InChI Key

OZLVPDRQEMUIBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.688

Distribution Coefficient, logD

2.685

Water Solubility, LogSw

-3.11

Polar Surface Area

75.190

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

1990-3825 in Drug Discovery

Included in Screening Libraries

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 1990-3825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1990-3825?
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What is the minimum amount of 1990-3825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1990-3825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1990-3825
  • 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 1990-3825 available by request