E157-4030 Screening compound: 3,4,5-triethoxy-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide

E157-4030 Screening compound: 3,4,5-triethoxy-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide
E157-4030 Screening compound: 3,4,5-triethoxy-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4030
3,4,5-triethoxy-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide

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

E157-4030

Molecular Formula

C17H21N5O4S (C17 H21 N5 O4 S)

Compound Name

3,4,5-triethoxy-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide

IUPAC name

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

SMILES

CCOc1cc(C(Nc(s2)nn3c2nnc3C)=O)cc(OCC)c1OCC

InChI

InChI=1S/C17H21N5O4S/c1-5-24-12-8-11(9-13(25-6-2)14(12)26-7-3)15(23)18-16-21-22-10(4)19-20-17(22)27-16/h8-9H,5-7H2,1-4H3,(H,18,21,23)

InChI Key

NIEVTOSIWFDXFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.006

Distribution Coefficient, logD

1.990

Water Solubility, LogSw

-2.80

Polar Surface Area

79.891

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with E157-4030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4030?
Check Price and Availability of E157-4030, 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 E157-4030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4030
  • 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 E157-4030 available by request