L550-0406 Screening compound: N-butyl-3-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

L550-0406 Screening compound: N-butyl-3-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
L550-0406 Screening compound: N-butyl-3-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound L550-0406
N-butyl-3-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-ethyl-[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

L550-0406

Molecular Formula

C21H24ClN7O (C21 H24 ClN7 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CC)c(cc1)nn2c1nnc2CCc1nc(-c2cccc(Cl)c2)no1

InChI

InChI=1S/C21H24ClN7O/c1-3-5-13-28(4-2)19-10-9-17-24-25-18(29(17)26-19)11-12-20-23-21(27-30-20)15-7-6-8-16(22)14-15/h6-10,14H,3-5,11-13H2,1-2H3

InChI Key

OYKWERVSGMGHFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27461153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-5.67

Polar Surface Area

67.170

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

L550-0406 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with L550-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L550-0406?
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What is the minimum amount of L550-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L550-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L550-0406
  • 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 L550-0406 available by request