C201-1299 Screening compound: ethyl 4-{2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamido}benzoate

C201-1299 Screening compound: ethyl 4-{2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamido}benzoate
C201-1299 Screening compound: ethyl 4-{2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1299
ethyl 4-{2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamido}benzoate

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

C201-1299

Molecular Formula

C20H23N5O6S (C20 H23 N5 O6 S)

Compound Name

ethyl 4-{2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H3H-[124]triazolo[43-b]pyridazin-2-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C1=O)N=C(C=C2)N1N=C2S(C(C)(C)C)(=O)=O)=O)=O

InChI

InChI=1S/C20H23N5O6S/c1-5-31-18(27)13-6-8-14(9-7-13)21-16(26)12-24-19(28)25-15(22-24)10-11-17(23-25)32(29,30)20(2,3)4/h6-11H,5,12H2,1-4H3,(H,21,26)

InChI Key

YUHDZKOXBQANLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.660

Water Solubility, LogSw

-2.96

Polar Surface Area

118.487

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C201-1299 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 C201-1299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1299?
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What is the minimum amount of C201-1299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1299
  • 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 C201-1299 available by request