C301-2221 Screening compound: 3-{5-chloro-4-[(2-methoxyphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid

C301-2221 Screening compound: 3-{5-chloro-4-[(2-methoxyphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid
C301-2221 Screening compound: 3-{5-chloro-4-[(2-methoxyphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2221
3-{5-chloro-4-[(2-methoxyphenyl)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

C301-2221

Molecular Formula

C22H24ClN3O4 (C22 H24 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H24ClN3O4/c1-30-17-5-3-2-4-15(17)25-16-11-24-26(19(27)18(16)23)22-9-13-6-14(10-22)8-21(7-13,12-22)20(28)29/h2-5,11,13-14,25H,6-10,12H2,1H3,(H,28,29)

InChI Key

GBBLQWBPEQRSBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

1.791

Water Solubility, LogSw

-4.27

Polar Surface Area

70.836

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C301-2221 in Drug Discovery

Included in Screening Libraries

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 C301-2221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2221?
Check Price and Availability of C301-2221, 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 C301-2221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2221
  • 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 C301-2221 available by request