C201-1291 Screening compound: N-(4-fluorophenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

C201-1291 Screening compound: N-(4-fluorophenyl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide
C201-1291 Screening compound: N-(4-fluorophenyl)-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 C201-1291
N-(4-fluorophenyl)-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

C201-1291

Molecular Formula

C17H18FN5O4S (C17 H18 FN5 O4 S)

Compound Name

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

IUPAC name

N-(4-fluorophenyl)-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(cc3)ccc3F)=O)=NN1C2=O)(=O)=O

InChI

InChI=1S/C17H18FN5O4S/c1-17(2,3)28(26,27)15-9-8-13-20-22(16(25)23(13)21-15)10-14(24)19-12-6-4-11(18)5-7-12/h4-9H,10H2,1-3H3,(H,19,24)

InChI Key

ANURRWPBHPIYLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

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

2.088

Distribution Coefficient, logD

2.088

Water Solubility, LogSw

-2.87

Polar Surface Area

97.733

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with C201-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1291?
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What is the minimum amount of C201-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1291
  • 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 C201-1291 available by request