8015-0918 Screening compound: N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide

8015-0918 Screening compound: N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
8015-0918 Screening compound: N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0918
N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide

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

8015-0918

Molecular Formula

C12H14N4O4 (C12 H14 N4 O4)

Compound Name

N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide

IUPAC name

N-(345-trimethoxyphenyl)-1H-124-triazole-3-carboxamide

SMILES

COc1cc(NC(c2n[nH]cn2)=O)cc(OC)c1OC

InChI

InChI=1S/C12H14N4O4/c1-18-8-4-7(5-9(19-2)10(8)20-3)15-12(17)11-13-6-14-16-11/h4-6H,1-3H3,(H,15,17)(H,13,14,16)

InChI Key

SBUYAXLHEDSVIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.120

Distribution Coefficient, logD

0.024

Water Solubility, LogSw

-1.99

Polar Surface Area

82.011

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8015-0918 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8015-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0918?
Check Price and Availability of 8015-0918, 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 8015-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0918
  • 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 8015-0918 available by request