E157-4187 Screening compound: N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide

E157-4187 Screening compound: N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide
E157-4187 Screening compound: N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4187
N-[3-(2-methylphenyl)-[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

E157-4187

Molecular Formula

C13H13N5OS (C13 H13 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc(s1)nn2c1nnc2-c1c(C)cccc1)=O

InChI

InChI=1S/C13H13N5OS/c1-3-10(19)14-12-17-18-11(15-16-13(18)20-12)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,14,17,19)

InChI Key

BABSMDCOMDHPDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.164

Distribution Coefficient, logD

2.164

Water Solubility, LogSw

-2.87

Polar Surface Area

57.183

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with E157-4187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4187?
Check Price and Availability of E157-4187, 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 E157-4187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4187
  • 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 E157-4187 available by request