C201-1296 Screening compound: N-tert-butyl-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

C201-1296 Screening compound: N-tert-butyl-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide
C201-1296 Screening compound: N-tert-butyl-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 C201-1296
N-tert-butyl-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

C201-1296

Molecular Formula

C15H23N5O4S (C15 H23 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)NC(CN(C1=O)N=C(C=C2)N1N=C2S(C(C)(C)C)(=O)=O)=O

InChI

InChI=1S/C15H23N5O4S/c1-14(2,3)16-11(21)9-19-13(22)20-10(17-19)7-8-12(18-20)25(23,24)15(4,5)6/h7-8H,9H2,1-6H3,(H,16,21)

InChI Key

SDXQACFVYFHMDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.469

Distribution Coefficient, logD

1.469

Water Solubility, LogSw

-2.18

Polar Surface Area

98.151

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C201-1296 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C201-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1296?
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What is the minimum amount of C201-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1296
  • 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 C201-1296 available by request