C301-2287 Screening compound: 3-{5-chloro-4-[(2-ethoxyphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid

C301-2287 Screening compound: 3-{5-chloro-4-[(2-ethoxyphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid
C301-2287 Screening compound: 3-{5-chloro-4-[(2-ethoxyphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2287
3-{5-chloro-4-[(2-ethoxyphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic 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

C301-2287

Molecular Formula

C23H26ClN3O4 (C23 H26 ClN3 O4)

Compound Name

3-{5-chloro-4-[(2-ethoxyphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid

IUPAC name

3-{5-chloro-4-[(2-ethoxyphenyl)amino]-6-oxo-16-dihydropyridazin-1-yl}adamantane-1-carboxylic acid

SMILES

CCOc(cccc1)c1NC(C=NN(C(CC(C1)C2)(CC1C1)CC12C(O)=O)C1=O)=C1Cl

InChI

InChI=1S/C23H26ClN3O4/c1-2-31-18-6-4-3-5-16(18)26-17-12-25-27(20(28)19(17)24)23-10-14-7-15(11-23)9-22(8-14,13-23)21(29)30/h3-6,12,14-15,26H,2,7-11,13H2,1H3,(H,29,30)

InChI Key

CGZFLUGGXNDLTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

2.212

Water Solubility, LogSw

-4.32

Polar Surface Area

70.416

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C301-2287 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C301-2287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2287?
Check Price and Availability of C301-2287, 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 C301-2287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2287
  • 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 C301-2287 available by request