1821-0040 Screening compound: 4-bromo-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide

1821-0040 Screening compound: 4-bromo-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
1821-0040 Screening compound: 4-bromo-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1821-0040
4-bromo-N'-[(E)-(2-methoxyphenyl)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

1821-0040

Molecular Formula

C12H11BrN4O2 (C12 H11 BrN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=N/NC(c([nH]nc2)c2Br)=O)cccc1

InChI

InChI=1S/C12H11BrN4O2/c1-19-10-5-3-2-4-8(10)6-14-17-12(18)11-9(13)7-15-16-11/h2-7H,1H3,(H,15,16)(H,17,18)

InChI Key

HXJICRVNRNWWLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00432368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-2.95

Polar Surface Area

67.646

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1821-0040 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1821-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1821-0040?
Check Price and Availability of 1821-0040, 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 1821-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1821-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1821-0040
  • 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 1821-0040 available by request