8018-4784 Screening compound: 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2H-1,2,3,4-tetrazole

8018-4784 Screening compound: 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2H-1,2,3,4-tetrazole
8018-4784 Screening compound: 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4784
2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2H-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

8018-4784

Molecular Formula

C18H15BrN4O3 (C18 H15 BrN4 O3)

Compound Name

2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2H-1,2,3,4-tetrazole

IUPAC name

2-[(6-bromo-2H-13-benzodioxol-5-yl)methyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2H-1234-tetrazole

SMILES

C=CCOc(cc1)ccc1-c1nn(Cc(cc2OCOc2c2)c2Br)nn1

InChI

InChI=1S/C18H15BrN4O3/c1-2-7-24-14-5-3-12(4-6-14)18-20-22-23(21-18)10-13-8-16-17(9-15(13)19)26-11-25-16/h2-6,8-9H,1,7,10-11H2

InChI Key

BBZKSIJYZGBPNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.376

Distribution Coefficient, logD

4.376

Water Solubility, LogSw

-4.47

Polar Surface Area

62.875

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8018-4784 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8018-4784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4784?
Check Price and Availability of 8018-4784, 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 8018-4784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4784
  • 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 8018-4784 available by request