C719-0208 Screening compound: 2-[3-(4-{[4-(carboxymethyl)phenyl]amino}-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl)adamantan-1-yl]acetic acid

C719-0208 Screening compound: 2-[3-(4-{[4-(carboxymethyl)phenyl]amino}-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl)adamantan-1-yl]acetic acid
C719-0208 Screening compound: 2-[3-(4-{[4-(carboxymethyl)phenyl]amino}-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl)adamantan-1-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C719-0208
2-[3-(4-{[4-(carboxymethyl)phenyl]amino}-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

C719-0208

Molecular Formula

C24H26ClN3O5 (C24 H26 ClN3 O5)

Compound Name

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

IUPAC name

2-[3-(4-{[4-(carboxymethyl)phenyl]amino}-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(Nc2ccc(CC(O)=O)cc2)=C1Cl)=O

InChI

InChI=1S/C24H26ClN3O5/c25-21-18(27-17-3-1-14(2-4-17)6-19(29)30)12-26-28(22(21)33)24-9-15-5-16(10-24)8-23(7-15,13-24)11-20(31)32/h1-4,12,15-16,27H,5-11,13H2,(H,29,30)(H,31,32)

InChI Key

FGXCNCFIRSIOBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06603639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

0.278

Water Solubility, LogSw

-3.55

Polar Surface Area

92.263

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C719-0208 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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
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 C719-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C719-0208?
Check Price and Availability of C719-0208, 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 C719-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C719-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C719-0208
  • 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 C719-0208 available by request