7502-0519 Screening compound: 3,4,5-triethoxy-N-(4H-1,2,4-triazol-3-yl)benzamide

7502-0519 Screening compound: 3,4,5-triethoxy-N-(4H-1,2,4-triazol-3-yl)benzamide
7502-0519 Screening compound: 3,4,5-triethoxy-N-(4H-1,2,4-triazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7502-0519
3,4,5-triethoxy-N-(4H-1,2,4-triazol-3-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

7502-0519

Molecular Formula

C15H20N4O4 (C15 H20 N4 O4)

Compound Name

3,4,5-triethoxy-N-(4H-1,2,4-triazol-3-yl)benzamide

IUPAC name

345-triethoxy-N-(4H-124-triazol-3-yl)benzamide

SMILES

CCOc1cc(C(Nc2nnc[nH]2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C15H20N4O4/c1-4-21-11-7-10(14(20)18-15-16-9-17-19-15)8-12(22-5-2)13(11)23-6-3/h7-9H,4-6H2,1-3H3,(H2,16,17,18,19,20)

InChI Key

OQFGCQYOXRUGLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02702773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.849

Distribution Coefficient, logD

0.842

Water Solubility, LogSw

-1.97

Polar Surface Area

81.884

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

7502-0519 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7502-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7502-0519?
Check Price and Availability of 7502-0519, 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 7502-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7502-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7502-0519
  • 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 7502-0519 available by request