C719-0235 Screening compound: 2-{3-[4-(benzylamino)-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl]adamantan-1-yl}acetic acid

C719-0235 Screening compound: 2-{3-[4-(benzylamino)-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl]adamantan-1-yl}acetic acid
C719-0235 Screening compound: 2-{3-[4-(benzylamino)-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl]adamantan-1-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C719-0235
2-{3-[4-(benzylamino)-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl]adamantan-1-yl}acetic acid

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

C719-0235

Molecular Formula

C23H26ClN3O3 (C23 H26 ClN3 O3)

Compound Name

2-{3-[4-(benzylamino)-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl]adamantan-1-yl}acetic acid

IUPAC name

2-{3-[4-(benzylamino)-5-chloro-6-oxo-16-dihydropyridazin-1-yl]adamantan-1-yl}acetic acid

SMILES

OC(CC(CC(C1)C2)(CC1C1)CC12N(C1=O)N=CC(NCc2ccccc2)=C1Cl)=O

InChI

InChI=1S/C23H26ClN3O3/c24-20-18(25-12-15-4-2-1-3-5-15)13-26-27(21(20)30)23-9-16-6-17(10-23)8-22(7-16,14-23)11-19(28)29/h1-5,13,16-17,25H,6-12,14H2,(H,28,29)

InChI Key

UALNQTBBZSTOLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06593214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.615

Distribution Coefficient, logD

0.848

Water Solubility, LogSw

-3.69

Polar Surface Area

65.202

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

-7.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C719-0235 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
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 C719-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C719-0235?
Check Price and Availability of C719-0235, 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 C719-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C719-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C719-0235
  • 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 C719-0235 available by request