L550-1495 Screening compound: ethyl 1-(3-{2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxylate

L550-1495 Screening compound: ethyl 1-(3-{2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxylate
L550-1495 Screening compound: ethyl 1-(3-{2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L550-1495
ethyl 1-(3-{2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxylate

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

L550-1495

Molecular Formula

C24H27N7O3 (C24 H27 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CCC1)CN1c(cc1)nn2c1nnc2CCc1nc(-c2c(C)cccc2)no1)=O

InChI

InChI=1S/C24H27N7O3/c1-3-33-24(32)17-8-6-14-30(15-17)21-11-10-19-26-27-20(31(19)28-21)12-13-22-25-23(29-34-22)18-9-5-4-7-16(18)2/h4-5,7,9-11,17H,3,6,8,12-15H2,1-2H3/t17-/m0/s1

InChI Key

ZJISMXPVUVKFAW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27461164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.577

Distribution Coefficient, logD

3.577

Water Solubility, LogSw

-3.58

Polar Surface Area

88.319

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

L550-1495 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 L550-1495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L550-1495?
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What is the minimum amount of L550-1495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L550-1495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L550-1495
  • 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 L550-1495 available by request