D731-0458 Screening compound: 5-(methoxymethyl)-1-(4-methylphenyl)-N-phenyl-1H-1,2,3-triazole-4-carboxamide

D731-0458 Screening compound: 5-(methoxymethyl)-1-(4-methylphenyl)-N-phenyl-1H-1,2,3-triazole-4-carboxamide
D731-0458 Screening compound: 5-(methoxymethyl)-1-(4-methylphenyl)-N-phenyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0458
5-(methoxymethyl)-1-(4-methylphenyl)-N-phenyl-1H-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

D731-0458

Molecular Formula

C18H18N4O2 (C18 H18 N4 O2)

Compound Name

5-(methoxymethyl)-1-(4-methylphenyl)-N-phenyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-(methoxymethyl)-1-(4-methylphenyl)-N-phenyl-1H-123-triazole-4-carboxamide

SMILES

Cc(cc1)ccc1-n1nnc(C(Nc2ccccc2)=O)c1COC

InChI

InChI=1S/C18H18N4O2/c1-13-8-10-15(11-9-13)22-16(12-24-2)17(20-21-22)18(23)19-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,19,23)

InChI Key

RATBBFYIJYKGRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09874340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.807

Distribution Coefficient, logD

2.807

Water Solubility, LogSw

-3.35

Polar Surface Area

58.107

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D731-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0458?
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What is the minimum amount of D731-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0458
  • 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 D731-0458 available by request