6655-1585 Screening compound: 6-(4-bromophenyl)-3-[(4-methoxyphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6655-1585 Screening compound: 6-(4-bromophenyl)-3-[(4-methoxyphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
6655-1585 Screening compound: 6-(4-bromophenyl)-3-[(4-methoxyphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6655-1585
6-(4-bromophenyl)-3-[(4-methoxyphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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

6655-1585

Molecular Formula

C18H15BrN4O2S (C18 H15 BrN4 O2 S)

Compound Name

6-(4-bromophenyl)-3-[(4-methoxyphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

6-(4-bromophenyl)-3-[(4-methoxyphenoxy)methyl]-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

COc(cc1)ccc1OCc1nnc2SCC(c(cc3)ccc3Br)=Nn12

InChI

InChI=1S/C18H15BrN4O2S/c1-24-14-6-8-15(9-7-14)25-10-17-20-21-18-23(17)22-16(11-26-18)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3

InChI Key

ZHTVPDXVUPBPGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04339336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

4.082

Water Solubility, LogSw

-4.29

Polar Surface Area

49.977

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6655-1585 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6655-1585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6655-1585?
Check Price and Availability of 6655-1585, 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 6655-1585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6655-1585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6655-1585
  • 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 6655-1585 available by request