3253-2009 Screening compound: 3-(adamantan-1-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide

3253-2009 Screening compound: 3-(adamantan-1-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
3253-2009 Screening compound: 3-(adamantan-1-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-2009
3-(adamantan-1-yl)-N'-[(E)-(4-hydroxy-3-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

3253-2009

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

3-(adamantan-1-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide

IUPAC name

3-(adamantan-1-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide

SMILES

COc(cc(/C=N/NC(c1cc(C2(CC(C3)C4)CC4CC3C2)n[nH]1)=O)cc1)c1O

InChI

InChI=1S/C22H26N4O3/c1-29-19-7-13(2-3-18(19)27)12-23-26-21(28)17-8-20(25-24-17)22-9-14-4-15(10-22)6-16(5-14)11-22/h2-3,7-8,12,14-16,27H,4-6,9-11H2,1H3,(H,24,25)(H,26,28)

InChI Key

CZGYUYJKKDKICM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01827251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.494

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.01

Polar Surface Area

82.256

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3253-2009 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3253-2009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-2009?
Check Price and Availability of 3253-2009, 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 3253-2009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-2009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-2009
  • 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 3253-2009 available by request