C719-0005 Screening compound: 1,3-dimethyl 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzene-1,3-dicarboxylate

C719-0005 Screening compound: 1,3-dimethyl 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzene-1,3-dicarboxylate
C719-0005 Screening compound: 1,3-dimethyl 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C719-0005
1,3-dimethyl 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzene-1,3-dicarboxylate

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

C719-0005

Molecular Formula

C24H26ClN3O5 (C24 H26 ClN3 O5)

Compound Name

1,3-dimethyl 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-16-dihydropyridazin-4-yl]amino}benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(C=NN(C2(CC(C3)C4)CC4CC3C2)C2=O)=C2Cl)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C24H26ClN3O5/c1-32-22(30)16-6-17(23(31)33-2)8-18(7-16)27-19-12-26-28(21(29)20(19)25)24-9-13-3-14(10-24)5-15(4-13)11-24/h6-8,12-15,27H,3-5,9-11H2,1-2H3

InChI Key

OMOPUSZAILHAFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.328

Distribution Coefficient, logD

5.328

Water Solubility, LogSw

-6.04

Polar Surface Area

77.843

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C719-0005 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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 C719-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C719-0005?
Check Price and Availability of C719-0005, 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 C719-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C719-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C719-0005
  • 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 C719-0005 available by request