E157-3842 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-ethoxybenzamide

E157-3842 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-ethoxybenzamide
E157-3842 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-3842
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-ethoxybenzamide

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

E157-3842

Molecular Formula

C20H19N5O4S (C20 H19 N5 O4 S)

Compound Name

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

IUPAC name

N-[3-(34-dimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-3-ethoxybenzamide

SMILES

CCOc1cccc(C(Nc(s2)nn3c2nnc3-c(cc2)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C20H19N5O4S/c1-4-29-14-7-5-6-13(10-14)18(26)21-19-24-25-17(22-23-20(25)30-19)12-8-9-15(27-2)16(11-12)28-3/h5-11H,4H2,1-3H3,(H,21,24,26)

InChI Key

CERYIRGELLYBMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.375

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.66

Polar Surface Area

79.510

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E157-3842 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E157-3842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-3842?
Check Price and Availability of E157-3842, 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 E157-3842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-3842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-3842
  • 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 E157-3842 available by request