K784-8837 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide

K784-8837 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
K784-8837 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8837
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide

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

K784-8837

Molecular Formula

C27H31N5O3S (C27 H31 N5 O3 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-({57-dimethyl-6-[(4-methylphenyl)methyl]-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)acetamide

SMILES

Cc1ccc(Cc(c(C)nc2n3)c(C)n2nc3SCC(NCCc(cc2)cc(OC)c2OC)=O)cc1

InChI

InChI=1S/C27H31N5O3S/c1-17-6-8-20(9-7-17)14-22-18(2)29-26-30-27(31-32(26)19(22)3)36-16-25(33)28-13-12-21-10-11-23(34-4)24(15-21)35-5/h6-11,15H,12-14,16H2,1-5H3,(H,28,33)

InChI Key

WKJZSJMFVIXYAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.82

Polar Surface Area

69.129

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K784-8837 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K784-8837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8837?
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What is the minimum amount of K784-8837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8837
  • 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 K784-8837 available by request