3253-2697 Screening compound: 3-(adamantan-1-yl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide

3253-2697 Screening compound: 3-(adamantan-1-yl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide
3253-2697 Screening compound: 3-(adamantan-1-yl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-2697
3-(adamantan-1-yl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]-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

3253-2697

Molecular Formula

C22H25ClN4O (C22 H25 ClN4 O)

Compound Name

3-(adamantan-1-yl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide

IUPAC name

3-(adamantan-1-yl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide

SMILES

C/C(/c(cc1)ccc1Cl)=N\NC(c1cc(C2(CC(C3)C4)CC4CC3C2)n[nH]1)=O

InChI

InChI=1S/C22H25ClN4O/c1-13(17-2-4-18(23)5-3-17)24-27-21(28)19-9-20(26-25-19)22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,9,14-16H,6-8,10-12H2,1H3,(H,25,26)(H,27,28)

InChI Key

HAMQTCXSDSFQGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01913548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.004

Distribution Coefficient, logD

6.001

Water Solubility, LogSw

-6.28

Polar Surface Area

57.365

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3253-2697 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3253-2697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-2697?
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What is the minimum amount of 3253-2697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-2697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-2697
  • 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 3253-2697 available by request