C850-0153 Screening compound: 1-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

C850-0153 Screening compound: 1-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid
C850-0153 Screening compound: 1-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0153
1-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-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

C850-0153

Molecular Formula

C20H24ClN5O3 (C20 H24 ClN5 O3)

Compound Name

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

IUPAC name

1-{5-chloro-4-[(35-dimethyl-1H-pyrazol-4-yl)amino]-6-oxo-16-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

SMILES

Cc([nH]nc1C)c1NC(C=NN(C1(CC(C2)CC3CC2C1)C3C(O)=O)C1=O)=C1Cl

InChI

InChI=1S/C20H24ClN5O3/c1-9-17(10(2)25-24-9)23-14-8-22-26(18(27)16(14)21)20-6-11-3-12(7-20)5-13(4-11)15(20)19(28)29/h8,11-13,15,23H,3-7H2,1-2H3,(H,24,25)(H,28,29)

InChI Key

OZTYZVCHJQSJBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06594967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.040

Distribution Coefficient, logD

-0.297

Water Solubility, LogSw

-2.75

Polar Surface Area

85.889

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

C850-0153 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
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 C850-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0153?
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What is the minimum amount of C850-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0153
  • 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 C850-0153 available by request