E157-4636 Screening compound: 2-(4-methoxyphenoxy)-N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}acetamide

E157-4636 Screening compound: 2-(4-methoxyphenoxy)-N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}acetamide
E157-4636 Screening compound: 2-(4-methoxyphenoxy)-N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4636
2-(4-methoxyphenoxy)-N-{3-phenyl-[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

E157-4636

Molecular Formula

C18H15N5O3S (C18 H15 N5 O3 S)

Compound Name

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

IUPAC name

2-(4-methoxyphenoxy)-N-{3-phenyl-[124]triazolo[34-b][134]thiadiazol-6-yl}acetamide

SMILES

COc(cc1)ccc1OCC(Nc(s1)nn2c1nnc2-c1ccccc1)=O

InChI

InChI=1S/C18H15N5O3S/c1-25-13-7-9-14(10-8-13)26-11-15(24)19-17-22-23-16(20-21-18(23)27-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,22,24)

InChI Key

NXWLRYVGLKBNFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.45

Polar Surface Area

71.955

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E157-4636 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E157-4636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4636?
Check Price and Availability of E157-4636, 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 E157-4636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4636
  • 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 E157-4636 available by request