G952-1121 Screening compound: 2-(2,3-dimethylphenoxy)-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}acetamide

G952-1121 Screening compound: 2-(2,3-dimethylphenoxy)-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}acetamide
G952-1121 Screening compound: 2-(2,3-dimethylphenoxy)-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-1121
2-(2,3-dimethylphenoxy)-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}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

G952-1121

Molecular Formula

C14H15N5O2S (C14 H15 N5 O2 S)

Compound Name

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

IUPAC name

2-(23-dimethylphenoxy)-N-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}acetamide

SMILES

Cc1nnc2sc(NC(COc3c(C)c(C)ccc3)=O)nn12

InChI

InChI=1S/C14H15N5O2S/c1-8-5-4-6-11(9(8)2)21-7-12(20)15-13-18-19-10(3)16-17-14(19)22-13/h4-6H,7H2,1-3H3,(H,15,18,20)

InChI Key

YAGYTYRWWKTFDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.079

Distribution Coefficient, logD

2.061

Water Solubility, LogSw

-2.62

Polar Surface Area

65.546

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G952-1121 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G952-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-1121?
Check Price and Availability of G952-1121, 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 G952-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-1121
  • 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 G952-1121 available by request