L550-1977 Screening compound: 1-cyclohexyl-4-(3-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine

L550-1977 Screening compound: 1-cyclohexyl-4-(3-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine
L550-1977 Screening compound: 1-cyclohexyl-4-(3-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L550-1977
1-cyclohexyl-4-(3-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine

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

L550-1977

Molecular Formula

C26H32N8O2 (C26 H32 N8 O2)

Compound Name

1-cyclohexyl-4-(3-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine

IUPAC name

1-cyclohexyl-4-(3-{2-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]ethyl}-[124]triazolo[43-b]pyridazin-6-yl)piperazine

SMILES

COc(cc1)ccc1-c1noc(CCc2nnc(cc3)n2nc3N(CC2)CCN2C2CCCCC2)n1

InChI

InChI=1S/C26H32N8O2/c1-35-21-9-7-19(8-10-21)26-27-25(36-31-26)14-13-23-29-28-22-11-12-24(30-34(22)23)33-17-15-32(16-18-33)20-5-3-2-4-6-20/h7-12,20H,2-6,13-18H2,1H3

InChI Key

GCGFBUNPVLPCCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27461169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.463

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-4.24

Polar Surface Area

78.269

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L550-1977 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L550-1977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L550-1977?
Check Price and Availability of L550-1977, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L550-1977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L550-1977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L550-1977
  • 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 L550-1977 available by request