2322-1994 Screening compound: 3-(adamantan-1-yl)-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide

2322-1994 Screening compound: 3-(adamantan-1-yl)-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide
2322-1994 Screening compound: 3-(adamantan-1-yl)-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2322-1994
3-(adamantan-1-yl)-N'-[(E)-(3-nitrophenyl)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

2322-1994

Molecular Formula

C21H23N5O3 (C21 H23 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cc(/C=N/NC(c2cc(C3(CC(C4)C5)CC5CC4C3)n[nH]2)=O)ccc1)=O

InChI

InChI=1S/C21H23N5O3/c27-20(25-22-12-13-2-1-3-17(7-13)26(28)29)18-8-19(24-23-18)21-9-14-4-15(10-21)6-16(5-14)11-21/h1-3,7-8,12,14-16H,4-6,9-11H2,(H,23,24)(H,25,27)

InChI Key

VRYKJEQLXMNJBD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.120

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-5.46

Polar Surface Area

91.459

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

2322-1994 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2322-1994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2322-1994?
Check Price and Availability of 2322-1994, 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 2322-1994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2322-1994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2322-1994
  • 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 2322-1994 available by request