G574-0213 Screening compound: 3,4,5-triethoxy-N-{2-[2-(2-fluorophenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzamide

G574-0213 Screening compound: 3,4,5-triethoxy-N-{2-[2-(2-fluorophenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzamide
G574-0213 Screening compound: 3,4,5-triethoxy-N-{2-[2-(2-fluorophenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G574-0213
3,4,5-triethoxy-N-{2-[2-(2-fluorophenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzamide

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

G574-0213

Molecular Formula

C25H27FN4O4S (C25 H27 FN4 O4 S)

Compound Name

3,4,5-triethoxy-N-{2-[2-(2-fluorophenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzamide

IUPAC name

345-triethoxy-N-{2-[2-(2-fluorophenyl)-[124]triazolo[32-b][13]thiazol-6-yl]ethyl}benzamide

SMILES

CCOc1cc(C(NCCc2csc3nc(-c(cccc4)c4F)nn23)=O)cc(OCC)c1OCC

InChI

InChI=1S/C25H27FN4O4S/c1-4-32-20-13-16(14-21(33-5-2)22(20)34-6-3)24(31)27-12-11-17-15-35-25-28-23(29-30(17)25)18-9-7-8-10-19(18)26/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,27,31)

InChI Key

NADLYBQOBSAQSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08010036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.034

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.19

Polar Surface Area

67.415

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

G574-0213 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G574-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G574-0213?
Check Price and Availability of G574-0213, 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 G574-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G574-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G574-0213
  • 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 G574-0213 available by request