C747-0028 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-methylphenyl)propanamide

C747-0028 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-methylphenyl)propanamide
C747-0028 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C747-0028
3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-methylphenyl)propanamide

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

C747-0028

Molecular Formula

C22H26N6O3 (C22 H26 N6 O3)

Compound Name

3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-methylphenyl)propanamide

IUPAC name

3-(6-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-[124]triazolo[43-b]pyridazin-3-yl)-N-(4-methylphenyl)propanamide

SMILES

Cc(cc1)ccc1NC(CCc1nnc(cc2)n1nc2N(CC1)CCC11OCCO1)=O

InChI

InChI=1S/C22H26N6O3/c1-16-2-4-17(5-3-16)23-21(29)9-8-19-25-24-18-6-7-20(26-28(18)19)27-12-10-22(11-13-27)30-14-15-31-22/h2-7H,8-15H2,1H3,(H,23,29)

InChI Key

LUOVTHUYAAWBMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.924

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.39

Polar Surface Area

73.875

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C747-0028 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C747-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C747-0028?
Check Price and Availability of C747-0028, 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 C747-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C747-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C747-0028
  • 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 C747-0028 available by request