E157-4149 Screening compound: N-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylpropanamide

E157-4149 Screening compound: N-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylpropanamide
E157-4149 Screening compound: N-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4149
N-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylpropanamide

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

E157-4149

Molecular Formula

C16H13N5O2S (C16 H13 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1ccccc1)Nc(s1)nn2c1nnc2-c1ccco1

InChI

InChI=1S/C16H13N5O2S/c22-13(9-8-11-5-2-1-3-6-11)17-15-20-21-14(12-7-4-10-23-12)18-19-16(21)24-15/h1-7,10H,8-9H2,(H,17,20,22)

InChI Key

IJHAXUVDMAVSPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

2.523

Water Solubility, LogSw

-2.88

Polar Surface Area

65.490

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E157-4149 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E157-4149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4149?
Check Price and Availability of E157-4149, 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 E157-4149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4149
  • 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 E157-4149 available by request