G786-0611 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

G786-0611 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
G786-0611 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0611
3-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylphenyl)-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

G786-0611

Molecular Formula

C21H22N4O2S (C21 H22 N4 O2 S)

Compound Name

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

IUPAC name

3-[(34-dimethoxyphenyl)methyl]-6-(34-dimethylphenyl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

Cc(cc1)c(C)cc1C(CS1)=Nn2c1nnc2Cc(cc1)cc(OC)c1OC

InChI

InChI=1S/C21H22N4O2S/c1-13-5-7-16(9-14(13)2)17-12-28-21-23-22-20(25(21)24-17)11-15-6-8-18(26-3)19(10-15)27-4/h5-10H,11-12H2,1-4H3

InChI Key

WPTVLIPRKGVHAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036118

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

394.5

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

4.206

Distribution Coefficient, logD

4.086

Water Solubility, LogSw

-4.39

Polar Surface Area

50.195

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G786-0611 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with G786-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0611?
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What is the minimum amount of G786-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0611
  • 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 G786-0611 available by request