E136-0177 Screening compound: 2-(1H-indol-3-yl)-2-oxo-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]acetamide

E136-0177 Screening compound: 2-(1H-indol-3-yl)-2-oxo-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]acetamide
E136-0177 Screening compound: 2-(1H-indol-3-yl)-2-oxo-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0177
2-(1H-indol-3-yl)-2-oxo-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-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

E136-0177

Molecular Formula

C17H11N5O2S (C17 H11 N5 O2 S)

Compound Name

2-(1H-indol-3-yl)-2-oxo-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]acetamide

IUPAC name

2-(1H-indol-3-yl)-2-oxo-N-[5-(pyridin-4-yl)-134-thiadiazol-2-yl]acetamide

SMILES

O=C(C(Nc1nnc(-c2ccncc2)s1)=O)c1c[nH]c2c1cccc2

InChI

InChI=1S/C17H11N5O2S/c23-14(12-9-19-13-4-2-1-3-11(12)13)15(24)20-17-22-21-16(25-17)10-5-7-18-8-6-10/h1-9,19H,(H,20,22,24)

InChI Key

JBXYKTGLFAVESO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.864

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-3.56

Polar Surface Area

79.641

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

E136-0177 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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

Covalent Inhibitors Library (7986 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E136-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0177?
Check Price and Availability of E136-0177, 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 E136-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0177
  • 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 E136-0177 available by request