G314-0113 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamide

G314-0113 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamide
G314-0113 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G314-0113
N-{2-[benzyl(methyl)amino]ethyl}-3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-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

G314-0113

Molecular Formula

C20H26N6O (C20 H26 N6 O)

Compound Name

N-{2-[benzyl(methyl)amino]ethyl}-3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamide

IUPAC name

N-{2-[benzyl(methyl)amino]ethyl}-3-{68-dimethyl-[124]triazolo[43-b]pyridazin-7-yl}propanamide

SMILES

Cc1c(CCC(NCCN(C)Cc2ccccc2)=O)c(C)nn2c1nnc2

InChI

InChI=1S/C20H26N6O/c1-15-18(16(2)24-26-14-22-23-20(15)26)9-10-19(27)21-11-12-25(3)13-17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3,(H,21,27)

InChI Key

JEVMINYEMWLNLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.850

Distribution Coefficient, logD

0.195

Water Solubility, LogSw

-1.79

Polar Surface Area

62.578

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G314-0113 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 G314-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G314-0113?
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What is the minimum amount of G314-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G314-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G314-0113
  • 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 G314-0113 available by request