H024-0089 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-chlorophenyl)-2H-1,2,3-triazole-4-carboxamide

H024-0089 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-chlorophenyl)-2H-1,2,3-triazole-4-carboxamide
H024-0089 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-chlorophenyl)-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H024-0089
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-chlorophenyl)-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

H024-0089

Molecular Formula

C17H14ClN5O3 (C17 H14 ClN5 O3)

Compound Name

5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-chlorophenyl)-2H-1,2,3-triazole-4-carboxamide

IUPAC name

5-{[(2H-13-benzodioxol-5-yl)methyl]amino}-N-(4-chlorophenyl)-2H-123-triazole-4-carboxamide

SMILES

O=C(c1n[nH]nc1NCc(cc1)cc2c1OCO2)Nc(cc1)ccc1Cl

InChI

InChI=1S/C17H14ClN5O3/c18-11-2-4-12(5-3-11)20-17(24)15-16(22-23-21-15)19-8-10-1-6-13-14(7-10)26-9-25-13/h1-7H,8-9H2,(H,20,24)(H2,19,21,22,23)

InChI Key

RVCNFXRLDQGWHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.755

Water Solubility, LogSw

-3.63

Polar Surface Area

87.993

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

H024-0089 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with H024-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H024-0089?
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What is the minimum amount of H024-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H024-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H024-0089
  • 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 H024-0089 available by request