C719-0007 Screening compound: 3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-4-methylbenzoic acid

C719-0007 Screening compound: 3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-4-methylbenzoic acid
C719-0007 Screening compound: 3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-4-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C719-0007
3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-4-methylbenzoic 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

C719-0007

Molecular Formula

C22H24ClN3O3 (C22 H24 ClN3 O3)

Compound Name

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

IUPAC name

3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-16-dihydropyridazin-4-yl]amino}-4-methylbenzoic acid

SMILES

Cc(ccc(C(O)=O)c1)c1NC(C=NN(C1(CC(C2)C3)CC3CC2C1)C1=O)=C1Cl

InChI

InChI=1S/C22H24ClN3O3/c1-12-2-3-16(21(28)29)7-17(12)25-18-11-24-26(20(27)19(18)23)22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,11,13-15,25H,4-6,8-10H2,1H3,(H,28,29)

InChI Key

HZHIWGJLYBHKLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.004

Distribution Coefficient, logD

2.536

Water Solubility, LogSw

-4.86

Polar Surface Area

63.206

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C719-0007 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C719-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C719-0007?
Check Price and Availability of C719-0007, 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 C719-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C719-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C719-0007
  • 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 C719-0007 available by request