D217-0488 Screening compound: 2-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide

D217-0488 Screening compound: 2-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
D217-0488 Screening compound: 2-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0488
2-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-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

D217-0488

Molecular Formula

C19H19FN4O2 (C19 H19 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1-n1nc(C(NCc(cc2)ccc2F)=O)c(CO)n1

InChI

InChI=1S/C19H19FN4O2/c1-12-3-8-16(9-13(12)2)24-22-17(11-25)18(23-24)19(26)21-10-14-4-6-15(20)7-5-14/h3-9,25H,10-11H2,1-2H3,(H,21,26)

InChI Key

CXSXYTPGKFAKOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.38

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

2.781

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-2.97

Polar Surface Area

68.136

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with D217-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0488?
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What is the minimum amount of D217-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0488
  • 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 D217-0488 available by request