M454-1033 Screening compound: 3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{3-[ethyl(phenyl)amino]propyl}propanamide

M454-1033 Screening compound: 3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{3-[ethyl(phenyl)amino]propyl}propanamide
M454-1033 Screening compound: 3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{3-[ethyl(phenyl)amino]propyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M454-1033
3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{3-[ethyl(phenyl)amino]propyl}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

M454-1033

Molecular Formula

C27H32N6O (C27 H32 N6 O)

Compound Name

3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{3-[ethyl(phenyl)amino]propyl}propanamide

IUPAC name

3-[6-(34-dimethylphenyl)-[124]triazolo[43-b]pyridazin-3-yl]-N-{3-[ethyl(phenyl)amino]propyl}propanamide

SMILES

CCN(CCCNC(CCc1nnc(cc2)n1nc2-c1cc(C)c(C)cc1)=O)c1ccccc1

InChI

InChI=1S/C27H32N6O/c1-4-32(23-9-6-5-7-10-23)18-8-17-28-27(34)16-15-26-30-29-25-14-13-24(31-33(25)26)22-12-11-20(2)21(3)19-22/h5-7,9-14,19H,4,8,15-18H2,1-3H3,(H,28,34)

InChI Key

DEWMYIIEMLASJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-3.99

Polar Surface Area

60.405

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M454-1033 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M454-1033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M454-1033?
Check Price and Availability of M454-1033, 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 M454-1033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M454-1033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M454-1033
  • 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 M454-1033 available by request