4534-1101 Screening compound: 2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide

4534-1101 Screening compound: 2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
4534-1101 Screening compound: 2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4534-1101
2-methoxy-N-(4H-1,2,4-triazol-4-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

4534-1101

Molecular Formula

C10H10N4O2 (C10 H10 N4 O2)

Compound Name

2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide

IUPAC name

2-methoxy-N-(4H-124-triazol-4-yl)benzamide

SMILES

COc(cccc1)c1C(Nn1cnnc1)=O

InChI

InChI=1S/C10H10N4O2/c1-16-9-5-3-2-4-8(9)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15)

InChI Key

IQBQJZVGYXSXBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00750816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.110

Distribution Coefficient, logD

-0.110

Water Solubility, LogSw

-2.09

Polar Surface Area

57.822

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4534-1101 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 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:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4534-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4534-1101?
Check Price and Availability of 4534-1101, 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 4534-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4534-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4534-1101
  • 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 4534-1101 available by request