E157-4180 Screening compound: N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}propanamide

E157-4180 Screening compound: N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}propanamide
E157-4180 Screening compound: N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4180
N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}propanamide

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

E157-4180

Molecular Formula

C7H9N5OS (C7 H9 N5 OS)

Compound Name

N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}propanamide

IUPAC name

N-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}propanamide

SMILES

CCC(Nc(s1)nn2c1nnc2C)=O

InChI

InChI=1S/C7H9N5OS/c1-3-5(13)8-6-11-12-4(2)9-10-7(12)14-6/h3H2,1-2H3,(H,8,11,13)

InChI Key

BWKLNKZFETYTPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

211.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.045

Distribution Coefficient, logD

0.029

Water Solubility, LogSw

-1.66

Polar Surface Area

58.232

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E157-4180 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E157-4180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4180?
Check Price and Availability of E157-4180, 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 E157-4180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4180
  • 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 E157-4180 available by request