E157-4461 Screening compound: 2-methylpropyl N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}carbamate

E157-4461 Screening compound: 2-methylpropyl N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}carbamate
E157-4461 Screening compound: 2-methylpropyl N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4461
2-methylpropyl N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}carbamate

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

E157-4461

Molecular Formula

C14H15N5O2S (C14 H15 N5 O2 S)

Compound Name

2-methylpropyl N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}carbamate

IUPAC name

2-methylpropyl N-{3-phenyl-[124]triazolo[34-b][134]thiadiazol-6-yl}carbamate

SMILES

CC(C)COC(Nc(s1)nn2c1nnc2-c1ccccc1)=O

InChI

InChI=1S/C14H15N5O2S/c1-9(2)8-21-14(20)15-12-18-19-11(16-17-13(19)22-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,15,18,20)

InChI Key

FWXDLTLZHRVQHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

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

3.350

Distribution Coefficient, logD

3.344

Water Solubility, LogSw

-3.67

Polar Surface Area

65.853

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E157-4461 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E157-4461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4461?
Check Price and Availability of E157-4461, 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 E157-4461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4461
  • 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 E157-4461 available by request