8018-6415 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrazol-5-amine

8018-6415 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrazol-5-amine
8018-6415 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6415
1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrazol-5-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

8018-6415

Molecular Formula

C11H11N3O2 (C11 H11 N3 O2)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrazol-5-amine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-1H-pyrazol-5-amine

SMILES

Nc1ccnn1Cc(cc1)cc2c1OCO2

InChI

InChI=1S/C11H11N3O2/c12-11-3-4-13-14(11)6-8-1-2-9-10(5-8)16-7-15-9/h1-5H,6-7,12H2

InChI Key

NTKYUIFXDRHQNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07643287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.111

Distribution Coefficient, logD

1.111

Water Solubility, LogSw

-1.98

Polar Surface Area

51.378

Acid Dissociation Constant (pKa)

21.87

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8018-6415 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-6415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6415?
Check Price and Availability of 8018-6415, 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 8018-6415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6415
  • 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 8018-6415 available by request