8018-1207 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

8018-1207 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
8018-1207 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1207
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

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

8018-1207

Molecular Formula

C14H13N5O2 (C14 H13 N5 O2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-methyl-[124]triazolo[43-b]pyridazin-8-amine

SMILES

Cc(cc1NCc(cc2)cc3c2OCO3)nn2c1nnc2

InChI

InChI=1S/C14H13N5O2/c1-9-4-11(14-17-16-7-19(14)18-9)15-6-10-2-3-12-13(5-10)21-8-20-12/h2-5,7,15H,6,8H2,1H3

InChI Key

WQSVPBNTAAGTCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.974

Distribution Coefficient, logD

0.972

Water Solubility, LogSw

-1.76

Polar Surface Area

60.325

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8018-1207 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-1207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1207?
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What is the minimum amount of 8018-1207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1207
  • 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 8018-1207 available by request