E157-3649 Screening compound: N-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide

E157-3649 Screening compound: N-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide
E157-3649 Screening compound: N-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-3649
N-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide

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

E157-3649

Molecular Formula

C16H13N5O4S (C16 H13 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(Nc(s1)nn2c1nnc2-c1ccco1)=O)c1)c1OC

InChI

InChI=1S/C16H13N5O4S/c1-23-10-6-5-9(8-12(10)24-2)14(22)17-15-20-21-13(11-4-3-7-25-11)18-19-16(21)26-15/h3-8H,1-2H3,(H,17,20,22)

InChI Key

SCUMQOUXKRGDAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.876

Distribution Coefficient, logD

1.871

Water Solubility, LogSw

-2.62

Polar Surface Area

80.964

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E157-3649 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

C-Met Library (15277 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E157-3649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-3649?
Check Price and Availability of E157-3649, 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 E157-3649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-3649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-3649
  • 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 E157-3649 available by request