8019-5646 Screening compound: 2-[6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-4-chlorophenyl methyl ether

8019-5646 Screening compound: 2-[6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-4-chlorophenyl methyl ether
8019-5646 Screening compound: 2-[6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-4-chlorophenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5646
2-[6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-4-chlorophenyl methyl ether

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

8019-5646

Molecular Formula

C17H12BrClN4OS (C17 H12 BrClN4 OS)

Compound Name

2-[6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-4-chlorophenyl methyl ether

IUPAC name

n/a

SMILES

COc(ccc(Cl)c1)c1-c1nnc2SCC(c(cc3)ccc3Br)=Nn12

InChI

InChI=1S/C17H12BrClN4OS/c1-24-15-7-6-12(19)8-13(15)16-20-21-17-23(16)22-14(9-25-17)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3

InChI Key

SPCJEIJBCJMHOK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.103

Distribution Coefficient, logD

5.101

Water Solubility, LogSw

-5.39

Polar Surface Area

41.589

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 8019-5646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5646?
Check Price and Availability of 8019-5646, 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 8019-5646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5646
  • 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 8019-5646 available by request