L550-2000 Screening compound: 1-(3-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(3-methylphenyl)piperazine

L550-2000 Screening compound: 1-(3-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(3-methylphenyl)piperazine
L550-2000 Screening compound: 1-(3-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(3-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L550-2000
1-(3-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(3-methylphenyl)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

L550-2000

Molecular Formula

C27H28N8O2 (C27 H28 N8 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(CC2)CCN2c(cc2)nn3c2nnc3CCc2nc(-c(cc3)ccc3OC)no2)c1

InChI

InChI=1S/C27H28N8O2/c1-19-4-3-5-21(18-19)33-14-16-34(17-15-33)25-11-10-23-29-30-24(35(23)31-25)12-13-26-28-27(32-37-26)20-6-8-22(36-2)9-7-20/h3-11,18H,12-17H2,1-2H3

InChI Key

CRJXOQNDOOANII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27461171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.883

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.67

Polar Surface Area

78.436

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

L550-2000 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with L550-2000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L550-2000?
Check Price and Availability of L550-2000, 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 L550-2000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L550-2000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L550-2000
  • 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 L550-2000 available by request