6979-0654 Screening compound: 2-(4-bromophenoxy)-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)acetamide

6979-0654 Screening compound: 2-(4-bromophenoxy)-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)acetamide
6979-0654 Screening compound: 2-(4-bromophenoxy)-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6979-0654
2-(4-bromophenoxy)-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)acetamide

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

6979-0654

Molecular Formula

C19H16BrN5O2S (C19 H16 BrN5 O2 S)

Compound Name

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

IUPAC name

2-(4-bromophenoxy)-N-(2-methyl-5-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)acetamide

SMILES

Cc1nnc2sc(-c3cc(NC(COc(cc4)ccc4Br)=O)c(C)cc3)nn12

InChI

InChI=1S/C19H16BrN5O2S/c1-11-3-4-13(18-24-25-12(2)22-23-19(25)28-18)9-16(11)21-17(26)10-27-15-7-5-14(20)6-8-15/h3-9H,10H2,1-2H3,(H,21,26)

InChI Key

DWGNBMJWISPEPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04391565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.76

Polar Surface Area

64.449

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

6979-0654 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6979-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6979-0654?
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What is the minimum amount of 6979-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6979-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6979-0654
  • 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 6979-0654 available by request