C314-0298 Screening compound: N-(2-methoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(2-methylpropyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C314-0298 Screening compound: N-(2-methoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(2-methylpropyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C314-0298 Screening compound: N-(2-methoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(2-methylpropyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C314-0298
N-(2-methoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(2-methylpropyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-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

C314-0298

Molecular Formula

C26H31N5O2S (C26 H31 N5 O2 S)

Compound Name

N-(2-methoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(2-methylpropyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

N-(2-methoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(2-methylpropyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(C)CC(C(C(Nc(cccc1)c1OC)=O)=C(C)Nc1n2)n1nc2SCc1c(C)cccc1

InChI

InChI=1S/C26H31N5O2S/c1-16(2)14-21-23(24(32)28-20-12-8-9-13-22(20)33-5)18(4)27-25-29-26(30-31(21)25)34-15-19-11-7-6-10-17(19)3/h6-13,16,21H,14-15H2,1-5H3,(H,28,32)(H,27,29,30)/t21-/m0/s1

InChI Key

WDZLKZYPOMGOMF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14748241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.163

Distribution Coefficient, logD

6.161

Water Solubility, LogSw

-5.54

Polar Surface Area

65.747

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

C314-0298 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C314-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C314-0298?
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What is the minimum amount of C314-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C314-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C314-0298
  • 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 C314-0298 available by request