8012-9970 Screening compound: 6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

8012-9970 Screening compound: 6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
8012-9970 Screening compound: 6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9970
6-(3,4-dimethoxyphenyl)-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

8012-9970

Molecular Formula

C12H12N4O2S (C12 H12 N4 O2 S)

Compound Name

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

IUPAC name

6-(34-dimethoxyphenyl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

COc(ccc(C(CS1)=Nn2c1nnc2)c1)c1OC

InChI

InChI=1S/C12H12N4O2S/c1-17-10-4-3-8(5-11(10)18-2)9-6-19-12-14-13-7-16(12)15-9/h3-5,7H,6H2,1-2H3

InChI Key

XADIIIREYUNGOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.493

Distribution Coefficient, logD

1.352

Water Solubility, LogSw

-2.14

Polar Surface Area

50.213

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8012-9970 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-9970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9970?
Check Price and Availability of 8012-9970, 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 8012-9970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9970
  • 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 8012-9970 available by request