D217-0453 Screening compound: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-2H-1,2,3-triazole-4-carboxamide

D217-0453 Screening compound: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-2H-1,2,3-triazole-4-carboxamide
D217-0453 Screening compound: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0453
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-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

D217-0453

Molecular Formula

C16H22N4O2 (C16 H22 N4 O2)

Compound Name

2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-2H-1,2,3-triazole-4-carboxamide

IUPAC name

2-(34-dimethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-2H-123-triazole-4-carboxamide

SMILES

CC(C)CNC(c1nn(-c2cc(C)c(C)cc2)nc1CO)=O

InChI

InChI=1S/C16H22N4O2/c1-10(2)8-17-16(22)15-14(9-21)18-20(19-15)13-6-5-11(3)12(4)7-13/h5-7,10,21H,8-9H2,1-4H3,(H,17,22)

InChI Key

SLNRTSSLMLAADQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.337

Distribution Coefficient, logD

2.337

Water Solubility, LogSw

-2.60

Polar Surface Area

68.407

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D217-0453 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D217-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0453?
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What is the minimum amount of D217-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0453
  • 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 D217-0453 available by request