8019-6217 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide

8019-6217 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide
8019-6217 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6217
N-(4-chloro-2,5-dimethoxyphenyl)-5-methyl-2-phenyl-2H-1,2,3-triazole-4-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

8019-6217

Molecular Formula

C18H17ClN4O3 (C18 H17 ClN4 O3)

Compound Name

N-(4-chloro-2,5-dimethoxyphenyl)-5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-5-methyl-2-phenyl-2H-123-triazole-4-carboxamide

SMILES

Cc1nn(-c2ccccc2)nc1C(Nc(c(OC)c1)cc(OC)c1Cl)=O

InChI

InChI=1S/C18H17ClN4O3/c1-11-17(22-23(21-11)12-7-5-4-6-8-12)18(24)20-14-10-15(25-2)13(19)9-16(14)26-3/h4-10H,1-3H3,(H,20,24)

InChI Key

LKLDFVSYDASBRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

2.655

Water Solubility, LogSw

-3.59

Polar Surface Area

63.573

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8019-6217 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-6217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6217?
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What is the minimum amount of 8019-6217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6217
  • 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 8019-6217 available by request