E157-3441 Screening compound: N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-methylbenzamide

E157-3441 Screening compound: N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-methylbenzamide
E157-3441 Screening compound: N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-3441
N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-methylbenzamide

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

E157-3441

Molecular Formula

C18H15N5O2S (C18 H15 N5 O2 S)

Compound Name

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

IUPAC name

N-[3-(4-methoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-2-methylbenzamide

SMILES

Cc(cccc1)c1C(Nc(s1)nn2c1nnc2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C18H15N5O2S/c1-11-5-3-4-6-14(11)16(24)19-17-22-23-15(20-21-18(23)26-17)12-7-9-13(25-2)10-8-12/h3-10H,1-2H3,(H,19,22,24)

InChI Key

GEXUZKVNOFADKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.504

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-3.81

Polar Surface Area

64.669

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E157-3441 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E157-3441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-3441?
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What is the minimum amount of E157-3441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-3441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-3441
  • 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 E157-3441 available by request