E157-4558 Screening compound: 2-(3-methylphenoxy)-N-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}acetamide

E157-4558 Screening compound: 2-(3-methylphenoxy)-N-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}acetamide
E157-4558 Screening compound: 2-(3-methylphenoxy)-N-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4558
2-(3-methylphenoxy)-N-{3-propyl-[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

E157-4558

Molecular Formula

C15H17N5O2S (C15 H17 N5 O2 S)

Compound Name

2-(3-methylphenoxy)-N-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}acetamide

IUPAC name

2-(3-methylphenoxy)-N-{3-propyl-[124]triazolo[34-b][134]thiadiazol-6-yl}acetamide

SMILES

CCCc1nnc2sc(NC(COc3cc(C)ccc3)=O)nn12

InChI

InChI=1S/C15H17N5O2S/c1-3-5-12-17-18-15-20(12)19-14(23-15)16-13(21)9-22-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9H2,1-2H3,(H,16,19,21)

InChI Key

PLSNNJZOJYKPRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.870

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.16

Polar Surface Area

65.659

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E157-4558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4558?
Check Price and Availability of E157-4558, 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 E157-4558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4558
  • 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 E157-4558 available by request