C747-0092 Screening compound: N-(4-methylphenyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C747-0092 Screening compound: N-(4-methylphenyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
C747-0092 Screening compound: N-(4-methylphenyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C747-0092
N-(4-methylphenyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)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

C747-0092

Molecular Formula

C21H21N7O (C21 H21 N7 O)

Compound Name

N-(4-methylphenyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

IUPAC name

N-(4-methylphenyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)propanamide

SMILES

Cc(cc1)ccc1NC(CCc1nnc(cc2)n1nc2NCc1cnccc1)=O

InChI

InChI=1S/C21H21N7O/c1-15-4-6-17(7-5-15)24-21(29)11-10-20-26-25-19-9-8-18(27-28(19)20)23-14-16-3-2-12-22-13-16/h2-9,12-13H,10-11,14H2,1H3,(H,23,27)(H,24,29)

InChI Key

YXFFTKLINQNPPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.631

Distribution Coefficient, logD

1.602

Water Solubility, LogSw

-1.33

Polar Surface Area

76.842

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

References: we are preparing a list of scientific research reports with C747-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C747-0092?
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What is the minimum amount of C747-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C747-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C747-0092
  • 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 C747-0092 available by request