E157-4039 Screening compound: 3,4,5-triethoxy-N-[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

E157-4039 Screening compound: 3,4,5-triethoxy-N-[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
E157-4039 Screening compound: 3,4,5-triethoxy-N-[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4039
3,4,5-triethoxy-N-[3-(4-methylphenyl)-[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

E157-4039

Molecular Formula

C23H25N5O4S (C23 H25 N5 O4 S)

Compound Name

3,4,5-triethoxy-N-[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

IUPAC name

345-triethoxy-N-[3-(4-methylphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]benzamide

SMILES

CCOc1cc(C(Nc(s2)nn3c2nnc3-c2ccc(C)cc2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C23H25N5O4S/c1-5-30-17-12-16(13-18(31-6-2)19(17)32-7-3)21(29)24-22-27-28-20(25-26-23(28)33-22)15-10-8-14(4)9-11-15/h8-13H,5-7H2,1-4H3,(H,24,27,29)

InChI Key

VTTAXOKNKQFKCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.466

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.20

Polar Surface Area

78.843

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with E157-4039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4039?
Check Price and Availability of E157-4039, 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 E157-4039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4039
  • 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 E157-4039 available by request