C201-1294 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

C201-1294 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide
C201-1294 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1294
N-(5-chloro-2-methoxyphenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

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

C201-1294

Molecular Formula

C18H20ClN5O5S (C18 H20 ClN5 O5 S)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H3H-[124]triazolo[43-b]pyridazin-2-yl]acetamide

SMILES

CC(C)(C)S(C(C=CC1=NN2CC(Nc(cc(cc3)Cl)c3OC)=O)=NN1C2=O)(=O)=O

InChI

InChI=1S/C18H20ClN5O5S/c1-18(2,3)30(27,28)16-8-7-14-21-23(17(26)24(14)22-16)10-15(25)20-12-9-11(19)5-6-13(12)29-4/h5-9H,10H2,1-4H3,(H,20,25)

InChI Key

KEWLZKPUYNXEFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.91

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

2.311

Water Solubility, LogSw

-3.40

Polar Surface Area

104.666

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C201-1294 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C201-1294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1294?
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What is the minimum amount of C201-1294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1294
  • 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 C201-1294 available by request