G786-0589 Screening compound: 3-(3-methylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

G786-0589 Screening compound: 3-(3-methylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
G786-0589 Screening compound: 3-(3-methylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0589
3-(3-methylphenyl)-6-(4-nitrophenyl)-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

G786-0589

Molecular Formula

C17H13N5O2S (C17 H13 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2nnc3SCC(c(cc4)ccc4[N+]([O-])=O)=Nn23)c1

InChI

InChI=1S/C17H13N5O2S/c1-11-3-2-4-13(9-11)16-18-19-17-21(16)20-15(10-25-17)12-5-7-14(8-6-12)22(23)24/h2-9H,10H2,1H3

InChI Key

MZCXBUDBTCFOMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05694289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.285

Water Solubility, LogSw

-4.40

Polar Surface Area

67.340

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G786-0589 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G786-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0589?
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What is the minimum amount of G786-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0589
  • 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 G786-0589 available by request