3643-0097 Screening compound: 6-(4-bromophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3643-0097 Screening compound: 6-(4-bromophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3643-0097 Screening compound: 6-(4-bromophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-0097
6-(4-bromophenyl)-3-propyl-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

3643-0097

Molecular Formula

C13H13BrN4S (C13 H13 BrN4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCc1nnc2SCC(c(cc3)ccc3Br)=Nn12

InChI

InChI=1S/C13H13BrN4S/c1-2-3-12-15-16-13-18(12)17-11(8-19-13)9-4-6-10(14)7-5-9/h4-7H,2-3,8H2,1H3

InChI Key

NWOPWQOVTACGQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01949151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.970

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-4.00

Polar Surface Area

35.206

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3643-0097 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3643-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-0097?
Check Price and Availability of 3643-0097, 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 3643-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-0097
  • 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 3643-0097 available by request