L550-0357 Screening compound: N-butyl-3-{2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

L550-0357 Screening compound: N-butyl-3-{2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
L550-0357 Screening compound: N-butyl-3-{2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound L550-0357
N-butyl-3-{2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

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

L550-0357

Molecular Formula

C22H27N7O3 (C22 H27 N7 O3)

Compound Name

N-butyl-3-{2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

IUPAC name

N-butyl-3-{2-[3-(35-dimethoxyphenyl)-124-oxadiazol-5-yl]ethyl}-N-methyl-[124]triazolo[43-b]pyridazin-6-amine

SMILES

CCCCN(C)c(cc1)nn2c1nnc2CCc1nc(-c2cc(OC)cc(OC)c2)no1

InChI

InChI=1S/C22H27N7O3/c1-5-6-11-28(2)20-8-7-18-24-25-19(29(18)26-20)9-10-21-23-22(27-32-21)15-12-16(30-3)14-17(13-15)31-4/h7-8,12-14H,5-6,9-11H2,1-4H3

InChI Key

NPQKXCPOXQWNNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27461146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-3.88

Polar Surface Area

82.472

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

L550-0357 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L550-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L550-0357?
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What is the minimum amount of L550-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L550-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L550-0357
  • 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 L550-0357 available by request