G952-1518 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

G952-1518 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
G952-1518 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-1518
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]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

G952-1518

Molecular Formula

C23H25N5O4S (C23 H25 N5 O4 S)

Compound Name

N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

IUPAC name

N-[3-(34-dimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

SMILES

CC(C)c(ccc(C)c1)c1OCC(Nc(s1)nn2c1nnc2-c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C23H25N5O4S/c1-13(2)16-8-6-14(3)10-18(16)32-12-20(29)24-22-27-28-21(25-26-23(28)33-22)15-7-9-17(30-4)19(11-15)31-5/h6-11,13H,12H2,1-5H3,(H,24,27,29)

InChI Key

VHHBNHAEYHFZHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.641

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.45

Polar Surface Area

79.758

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G952-1518 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G952-1518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-1518?
Check Price and Availability of G952-1518, 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 G952-1518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-1518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-1518
  • 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 G952-1518 available by request