C301-1769 Screening compound: 2-[3-(5-chloro-6-oxo-4-{[3-(trifluoromethyl)phenyl]amino}-1,6-dihydropyridazin-1-yl)adamantan-1-yl]acetic acid

C301-1769 Screening compound: 2-[3-(5-chloro-6-oxo-4-{[3-(trifluoromethyl)phenyl]amino}-1,6-dihydropyridazin-1-yl)adamantan-1-yl]acetic acid
C301-1769 Screening compound: 2-[3-(5-chloro-6-oxo-4-{[3-(trifluoromethyl)phenyl]amino}-1,6-dihydropyridazin-1-yl)adamantan-1-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-1769
2-[3-(5-chloro-6-oxo-4-{[3-(trifluoromethyl)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

C301-1769

Molecular Formula

C23H23ClF3N3O3 (C23 H23 ClF3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

OC(CC(CC(C1)C2)(CC1C1)CC12N(C1=O)N=CC(Nc2cc(C(F)(F)F)ccc2)=C1Cl)=O

InChI

InChI=1S/C23H23ClF3N3O3/c24-19-17(29-16-3-1-2-15(5-16)23(25,26)27)11-28-30(20(19)33)22-8-13-4-14(9-22)7-21(6-13,12-22)10-18(31)32/h1-3,5,11,13-14,29H,4,6-10,12H2,(H,31,32)

InChI Key

APEUGAWOFVIOQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.9

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

5.127

Distribution Coefficient, logD

2.361

Water Solubility, LogSw

-5.46

Polar Surface Area

63.880

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C301-1769 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 C301-1769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-1769?
Check Price and Availability of C301-1769, 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 C301-1769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-1769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-1769
  • 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 C301-1769 available by request