G952-3416 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide

G952-3416 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide
G952-3416 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-3416
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[3-(4-ethoxyphenyl)-[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

G952-3416

Molecular Formula

C21H16N6O4S (C21 H16 N6 O4 S)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-[3-(4-ethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]acetamide

SMILES

CCOc(cc1)ccc1-c1nnc2sc(NC(CN(C(c3c4cccc3)=O)C4=O)=O)nn12

InChI

InChI=1S/C21H16N6O4S/c1-2-31-13-9-7-12(8-10-13)17-23-24-21-27(17)25-20(32-21)22-16(28)11-26-18(29)14-5-3-4-6-15(14)19(26)30/h3-10H,2,11H2,1H3,(H,22,25,28)

InChI Key

LPTRNCYPTIPCTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27213909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

2.837

Water Solubility, LogSw

-3.45

Polar Surface Area

93.560

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G952-3416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-3416?
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What is the minimum amount of G952-3416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-3416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-3416
  • 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 G952-3416 available by request