F136-0029 Screening compound: 4-(2-METHYL-5-{3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL}BENZENESULFONYL)MORPHOLINE

F136-0029 Screening compound: 4-(2-METHYL-5-{3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL}BENZENESULFONYL)MORPHOLINE
F136-0029 Screening compound: 4-(2-METHYL-5-{3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL}BENZENESULFONYL)MORPHOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound F136-0029
4-(2-METHYL-5-{3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL}BENZENESULFONYL)MORPHOLINE

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

F136-0029

Molecular Formula

C17H19N5O3S (C17 H19 N5 O3 S)

Compound Name

4-(2-METHYL-5-{3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL}BENZENESULFONYL)MORPHOLINE

IUPAC name

n/a

SMILES

Cc1nnc(cc2)n1nc2-c1cc(S(N2CCOCC2)(=O)=O)c(C)cc1

InChI

InChI=1S/C17H19N5O3S/c1-12-3-4-14(15-5-6-17-19-18-13(2)22(17)20-15)11-16(12)26(23,24)21-7-9-25-10-8-21/h3-6,11H,7-10H2,1-2H3

InChI Key

HGDDKGJTCFYYNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27103733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.294

Distribution Coefficient, logD

1.294

Water Solubility, LogSw

-2.21

Polar Surface Area

72.794

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

F136-0029 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

GABA Library (7115 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F136-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F136-0029?
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What is the minimum amount of F136-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F136-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F136-0029
  • 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 F136-0029 available by request