C301-1684 Screening compound: 2-[3-(5-chloro-6-oxo-4-{[4-(propan-2-yl)phenyl]amino}-1,6-dihydropyridazin-1-yl)adamantan-1-yl]acetic acid

C301-1684 Screening compound: 2-[3-(5-chloro-6-oxo-4-{[4-(propan-2-yl)phenyl]amino}-1,6-dihydropyridazin-1-yl)adamantan-1-yl]acetic acid
C301-1684 Screening compound: 2-[3-(5-chloro-6-oxo-4-{[4-(propan-2-yl)phenyl]amino}-1,6-dihydropyridazin-1-yl)adamantan-1-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-1684
2-[3-(5-chloro-6-oxo-4-{[4-(propan-2-yl)phenyl]amino}-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

C301-1684

Molecular Formula

C25H30ClN3O3 (C25 H30 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(C=NN(C1(CC(C2)C3)CC3(CC(O)=O)CC2C1)C1=O)=C1Cl

InChI

InChI=1S/C25H30ClN3O3/c1-15(2)18-3-5-19(6-4-18)28-20-13-27-29(23(32)22(20)26)25-10-16-7-17(11-25)9-24(8-16,14-25)12-21(30)31/h3-6,13,15-17,28H,7-12,14H2,1-2H3,(H,30,31)

InChI Key

AGNLDINYOVKOJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.98

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

5.422

Distribution Coefficient, logD

2.656

Water Solubility, LogSw

-5.92

Polar Surface Area

63.880

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

C301-1684 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ACE2 Library (3043 compounds)

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Receptors Annotated Library (5376 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • 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 C301-1684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-1684?
Check Price and Availability of C301-1684, 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 C301-1684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-1684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-1684
  • 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 C301-1684 available by request