8019-4773 Screening compound: 5-[3-(4-bromo-1H-pyrazol-1-yl)phenyl]-2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetraazole

8019-4773 Screening compound: 5-[3-(4-bromo-1H-pyrazol-1-yl)phenyl]-2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetraazole
8019-4773 Screening compound: 5-[3-(4-bromo-1H-pyrazol-1-yl)phenyl]-2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetraazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4773
5-[3-(4-bromo-1H-pyrazol-1-yl)phenyl]-2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2H-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

8019-4773

Molecular Formula

C18H12BrClN6O2 (C18 H12 BrClN6 O2)

Compound Name

5-[3-(4-bromo-1H-pyrazol-1-yl)phenyl]-2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetraazole

IUPAC name

5-[3-(4-bromo-1H-pyrazol-1-yl)phenyl]-2-[(6-chloro-2H-13-benzodioxol-5-yl)methyl]-2H-1234-tetrazole

SMILES

Clc1c(Cn2nnc(-c3cccc(-n4ncc(Br)c4)c3)n2)cc2OCOc2c1

InChI

InChI=1S/C18H12BrClN6O2/c19-13-7-21-25(9-13)14-3-1-2-11(4-14)18-22-24-26(23-18)8-12-5-16-17(6-15(12)20)28-10-27-16/h1-7,9H,8,10H2

InChI Key

RACAKXLVAGJYSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10037905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.504

Distribution Coefficient, logD

4.504

Water Solubility, LogSw

-4.64

Polar Surface Area

69.815

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8019-4773 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8019-4773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4773?
Check Price and Availability of 8019-4773, 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 8019-4773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4773
  • 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 8019-4773 available by request