D217-0491 Screening compound: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2H-1,2,3-triazole-4-carboxamide

D217-0491 Screening compound: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2H-1,2,3-triazole-4-carboxamide
D217-0491 Screening compound: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0491
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-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

D217-0491

Molecular Formula

C22H23N5O2 (C22 H23 N5 O2)

Compound Name

2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2H-1,2,3-triazole-4-carboxamide

IUPAC name

2-(34-dimethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2H-123-triazole-4-carboxamide

SMILES

Cc(cc1)c(C)cc1-n1nc(C(NCCc2c[nH]c3c2cccc3)=O)c(CO)n1

InChI

InChI=1S/C22H23N5O2/c1-14-7-8-17(11-15(14)2)27-25-20(13-28)21(26-27)22(29)23-10-9-16-12-24-19-6-4-3-5-18(16)19/h3-8,11-12,24,28H,9-10,13H2,1-2H3,(H,23,29)

InChI Key

VRVBEDIFEHZHIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-3.14

Polar Surface Area

77.848

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D217-0491 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D217-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0491?
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What is the minimum amount of D217-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0491
  • 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 D217-0491 available by request