D217-0495 Screening compound: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide

D217-0495 Screening compound: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide
D217-0495 Screening compound: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0495
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-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

D217-0495

Molecular Formula

C20H22N4O3 (C20 H22 N4 O3)

Compound Name

2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide

IUPAC name

2-(34-dimethylphenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-2H-123-triazole-4-carboxamide

SMILES

Cc(cc1)c(C)cc1-n1nc(C(NCc2cc(OC)ccc2)=O)c(CO)n1

InChI

InChI=1S/C20H22N4O3/c1-13-7-8-16(9-14(13)2)24-22-18(12-25)19(23-24)20(26)21-11-15-5-4-6-17(10-15)27-3/h4-10,25H,11-12H2,1-3H3,(H,21,26)

InChI Key

XJONXYFEAXFINS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.15

Polar Surface Area

75.680

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D217-0495 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D217-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0495?
Check Price and Availability of D217-0495, 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 D217-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0495
  • 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 D217-0495 available by request