C301-2219 Screening compound: 3-(5-chloro-4-{[4-(methoxycarbonyl)phenyl]amino}-6-oxo-1,6-dihydropyridazin-1-yl)adamantane-1-carboxylic acid

C301-2219 Screening compound: 3-(5-chloro-4-{[4-(methoxycarbonyl)phenyl]amino}-6-oxo-1,6-dihydropyridazin-1-yl)adamantane-1-carboxylic acid
C301-2219 Screening compound: 3-(5-chloro-4-{[4-(methoxycarbonyl)phenyl]amino}-6-oxo-1,6-dihydropyridazin-1-yl)adamantane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2219
3-(5-chloro-4-{[4-(methoxycarbonyl)phenyl]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

C301-2219

Molecular Formula

C23H24ClN3O5 (C23 H24 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(C=NN(C(CC(C1)C2)(CC1C1)CC12C(O)=O)C1=O)=C1Cl)=O

InChI

InChI=1S/C23H24ClN3O5/c1-32-20(29)15-2-4-16(5-3-15)26-17-11-25-27(19(28)18(17)24)23-9-13-6-14(10-23)8-22(7-13,12-23)21(30)31/h2-5,11,13-14,26H,6-10,12H2,1H3,(H,30,31)

InChI Key

DNKFGSHKUNQSLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06596487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

1.869

Water Solubility, LogSw

-4.29

Polar Surface Area

85.078

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

C301-2219 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 C301-2219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2219?
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What is the minimum amount of C301-2219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2219
  • 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 C301-2219 available by request