8005-2133 Screening compound: 5-(2-methoxybenzyl)-1H-1,2,3,4-tetraazole

8005-2133 Screening compound: 5-(2-methoxybenzyl)-1H-1,2,3,4-tetraazole
8005-2133 Screening compound: 5-(2-methoxybenzyl)-1H-1,2,3,4-tetraazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2133
5-(2-methoxybenzyl)-1H-1,2,3,4-tetraazole

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

8005-2133

Molecular Formula

C9H10N4O (C9 H10 N4 O)

Compound Name

5-(2-methoxybenzyl)-1H-1,2,3,4-tetraazole

IUPAC name

5-[(2-methoxyphenyl)methyl]-1H-1234-tetrazole

SMILES

COc1c(Cc2nnn[nH]2)cccc1

InChI

InChI=1S/C9H10N4O/c1-14-8-5-3-2-4-7(8)6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)

InChI Key

GOKMCYWOYBMUJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

190.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.503

Distribution Coefficient, logD

-0.552

Water Solubility, LogSw

-1.76

Polar Surface Area

58.972

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8005-2133 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8005-2133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2133?
Check Price and Availability of 8005-2133, 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 8005-2133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2133
  • 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 8005-2133 available by request