E157-4040 Screening compound: 3,4,5-triethoxy-N-[3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

E157-4040 Screening compound: 3,4,5-triethoxy-N-[3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
E157-4040 Screening compound: 3,4,5-triethoxy-N-[3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4040
3,4,5-triethoxy-N-[3-(3-methoxyphenyl)-[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

E157-4040

Molecular Formula

C23H25N5O5S (C23 H25 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(C(Nc(s2)nn3c2nnc3-c2cc(OC)ccc2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C23H25N5O5S/c1-5-31-17-12-15(13-18(32-6-2)19(17)33-7-3)21(29)24-22-27-28-20(25-26-23(28)34-22)14-9-8-10-16(11-14)30-4/h8-13H,5-7H2,1-4H3,(H,24,27,29)

InChI Key

DWWGDBGZFHFWCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.26

Polar Surface Area

86.386

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with E157-4040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4040?
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What is the minimum amount of E157-4040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4040
  • 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 E157-4040 available by request