6855-0053 Screening compound: N-[(4-chlorophenyl)methyl]-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine

6855-0053 Screening compound: N-[(4-chlorophenyl)methyl]-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
6855-0053 Screening compound: N-[(4-chlorophenyl)methyl]-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6855-0053
N-[(4-chlorophenyl)methyl]-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine

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

6855-0053

Molecular Formula

C23H19ClN4O2 (C23 H19 ClN4 O2)

Compound Name

N-[(4-chlorophenyl)methyl]-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine

IUPAC name

N-[(4-chlorophenyl)methyl]-1-(2-methoxybenzoyl)-3-phenyl-1H-124-triazol-5-amine

SMILES

COc(cccc1)c1C(n1nc(-c2ccccc2)nc1NCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H19ClN4O2/c1-30-20-10-6-5-9-19(20)22(29)28-23(25-15-16-11-13-18(24)14-12-16)26-21(27-28)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,26,27)

InChI Key

UUBOYGYFQXXSPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04351705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

4.719

Water Solubility, LogSw

-4.95

Polar Surface Area

56.857

Acid Dissociation Constant (pKa)

17.06

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

6855-0053 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 6855-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6855-0053?
Check Price and Availability of 6855-0053, 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 6855-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6855-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6855-0053
  • 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 6855-0053 available by request