E157-4517 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxyacetamide

E157-4517 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxyacetamide
E157-4517 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4517
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxyacetamide

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

E157-4517

Molecular Formula

C19H17N5O4S (C19 H17 N5 O4 S)

Compound Name

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

IUPAC name

N-[3-(34-dimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-2-phenoxyacetamide

SMILES

COc(ccc(-c1nnc2sc(NC(COc3ccccc3)=O)nn12)c1)c1OC

InChI

InChI=1S/C19H17N5O4S/c1-26-14-9-8-12(10-15(14)27-2)17-21-22-19-24(17)23-18(29-19)20-16(25)11-28-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,23,25)

InChI Key

CBNAYEXTHBNHFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.46

Polar Surface Area

79.672

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with E157-4517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4517?
Check Price and Availability of E157-4517, 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 E157-4517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4517
  • 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 E157-4517 available by request