S554-0667 Screening compound: N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-phenylbutanamide

S554-0667 Screening compound: N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-phenylbutanamide
S554-0667 Screening compound: N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0667
N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-phenylbutanamide

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

S554-0667

Molecular Formula

C23H23N5O2 (C23 H23 N5 O2)

Compound Name

N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-phenylbutanamide

IUPAC name

N-{[6-(4-methoxyphenyl)-[124]triazolo[43-b]pyridazin-3-yl]methyl}-2-phenylbutanamide

SMILES

CCC(C(NCc1nnc(cc2)n1nc2-c(cc1)ccc1OC)=O)c1ccccc1

InChI

InChI=1S/C23H23N5O2/c1-3-19(16-7-5-4-6-8-16)23(29)24-15-22-26-25-21-14-13-20(27-28(21)22)17-9-11-18(30-2)12-10-17/h4-14,19H,3,15H2,1-2H3,(H,24,29)/t19-/m1/s1

InChI Key

XQEUDCHUIKNKAT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29012736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.377

Distribution Coefficient, logD

3.377

Water Solubility, LogSw

-3.48

Polar Surface Area

65.330

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

S554-0667 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S554-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0667?
Check Price and Availability of S554-0667, 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 S554-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0667
  • 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 S554-0667 available by request