D217-0166 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide

D217-0166 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide
D217-0166 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0166
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

D217-0166

Molecular Formula

C19H18N4O4 (C19 H18 N4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-123-triazole-4-carboxamide

SMILES

Cc(cc1)ccc1-n1nc(C(NCc(cc2)cc3c2OCO3)=O)c(CO)n1

InChI

InChI=1S/C19H18N4O4/c1-12-2-5-14(6-3-12)23-21-15(10-24)18(22-23)19(25)20-9-13-4-7-16-17(8-13)27-11-26-16/h2-8,24H,9-11H2,1H3,(H,20,25)

InChI Key

KUEKTSCNCDMOKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.57

Polar Surface Area

85.251

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D217-0166 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D217-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0166?
Check Price and Availability of D217-0166, 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 D217-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0166
  • 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 D217-0166 available by request