G952-2218 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide

G952-2218 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide
G952-2218 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-2218
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide

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

G952-2218

Molecular Formula

C20H19N5O5S (C20 H19 N5 O5 S)

Compound Name

N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide

IUPAC name

N-[3-(34-dimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc(s1)nn2c1nnc2-c(cc1)cc(OC)c1OC)=O)c1)c1OC

InChI

InChI=1S/C20H19N5O5S/c1-27-13-7-5-11(9-15(13)29-3)17-22-23-20-25(17)24-19(31-20)21-18(26)12-6-8-14(28-2)16(10-12)30-4/h5-10H,1-4H3,(H,21,24,26)

InChI Key

MDUXEBQGAMNKRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-3.07

Polar Surface Area

87.647

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G952-2218 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G952-2218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-2218?
Check Price and Availability of G952-2218, 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 G952-2218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-2218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-2218
  • 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 G952-2218 available by request