C301-2216 Screening compound: 3-{5-chloro-4-[(3,5-dimethylphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid

C301-2216 Screening compound: 3-{5-chloro-4-[(3,5-dimethylphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid
C301-2216 Screening compound: 3-{5-chloro-4-[(3,5-dimethylphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2216
3-{5-chloro-4-[(3,5-dimethylphenyl)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

C301-2216

Molecular Formula

C23H26ClN3O3 (C23 H26 ClN3 O3)

Compound Name

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

IUPAC name

3-{5-chloro-4-[(35-dimethylphenyl)amino]-6-oxo-16-dihydropyridazin-1-yl}adamantane-1-carboxylic acid

SMILES

Cc1cc(NC(C=NN(C(CC(C2)C3)(CC2C2)CC23C(O)=O)C2=O)=C2Cl)cc(C)c1

InChI

InChI=1S/C23H26ClN3O3/c1-13-3-14(2)5-17(4-13)26-18-11-25-27(20(28)19(18)24)23-9-15-6-16(10-23)8-22(7-15,12-23)21(29)30/h3-5,11,15-16,26H,6-10,12H2,1-2H3,(H,29,30)

InChI Key

PGTVMEOVVYIARX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.93

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

4.757

Distribution Coefficient, logD

2.471

Water Solubility, LogSw

-4.55

Polar Surface Area

63.904

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C301-2216 in Drug Discovery

Included in Screening Libraries

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 C301-2216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2216?
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What is the minimum amount of C301-2216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2216
  • 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 C301-2216 available by request