D217-0177 Screening compound: N-cyclopentyl-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide

D217-0177 Screening compound: N-cyclopentyl-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide
D217-0177 Screening compound: N-cyclopentyl-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0177
N-cyclopentyl-5-(hydroxymethyl)-2-(4-methylphenyl)-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

D217-0177

Molecular Formula

C16H20N4O2 (C16 H20 N4 O2)

Compound Name

N-cyclopentyl-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide

IUPAC name

N-cyclopentyl-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-123-triazole-4-carboxamide

SMILES

Cc(cc1)ccc1-n1nc(C(NC2CCCC2)=O)c(CO)n1

InChI

InChI=1S/C16H20N4O2/c1-11-6-8-13(9-7-11)20-18-14(10-21)15(19-20)16(22)17-12-4-2-3-5-12/h6-9,12,21H,2-5,10H2,1H3,(H,17,22)

InChI Key

VHTFFLZGLCAHKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.914

Distribution Coefficient, logD

1.914

Water Solubility, LogSw

-2.31

Polar Surface Area

68.227

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D217-0177 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 D217-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0177?
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What is the minimum amount of D217-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0177
  • 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 D217-0177 available by request