6979-0558 Screening compound: 2-methyl-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)propanamide

6979-0558 Screening compound: 2-methyl-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)propanamide
6979-0558 Screening compound: 2-methyl-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6979-0558
2-methyl-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)propanamide

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

6979-0558

Molecular Formula

C15H17N5OS (C15 H17 N5 OS)

Compound Name

2-methyl-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)propanamide

IUPAC name

2-methyl-N-(2-methyl-5-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)propanamide

SMILES

CC(C)C(Nc1c(C)ccc(-c(s2)nn3c2nnc3C)c1)=O

InChI

InChI=1S/C15H17N5OS/c1-8(2)13(21)16-12-7-11(6-5-9(12)3)14-19-20-10(4)17-18-15(20)22-14/h5-8H,1-4H3,(H,16,21)

InChI Key

GYRSWMRGLLQINZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04377629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.206

Distribution Coefficient, logD

2.206

Water Solubility, LogSw

-2.84

Polar Surface Area

57.435

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

6979-0558 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6979-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6979-0558?
Check Price and Availability of 6979-0558, 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 6979-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6979-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6979-0558
  • 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 6979-0558 available by request