C301-3747 Screening compound: 5-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazole

C301-3747 Screening compound: 5-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazole
C301-3747 Screening compound: 5-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3747
5-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazole

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

C301-3747

Molecular Formula

C9H10N4O (C9 H10 N4 O)

Compound Name

5-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazole

IUPAC name

5-[(4-methoxyphenyl)methyl]-1H-1234-tetrazole

SMILES

COc1ccc(Cc2nnn[nH]2)cc1

InChI

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

InChI Key

IWWXWEYVLHRYML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874890

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

1.426

Distribution Coefficient, logD

-0.629

Water Solubility, LogSw

-1.79

Polar Surface Area

58.886

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C301-3747 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C301-3747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3747?
Check Price and Availability of C301-3747, 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 C301-3747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3747
  • 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 C301-3747 available by request