K784-8729 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide

K784-8729 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
K784-8729 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8729
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[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

K784-8729

Molecular Formula

C24H21ClFN5O3S (C24 H21 ClFN5 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-({6-[(2-chloro-6-fluorophenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)acetamide

SMILES

Cc1c(Cc(c(F)ccc2)c2Cl)c(C)nc2nc(SCC(NCc(cc3)cc4c3OCO4)=O)nn12

InChI

InChI=1S/C24H21ClFN5O3S/c1-13-16(9-17-18(25)4-3-5-19(17)26)14(2)31-23(28-13)29-24(30-31)35-11-22(32)27-10-15-6-7-20-21(8-15)34-12-33-20/h3-8H,9-12H2,1-2H3,(H,27,32)

InChI Key

SOTLRBQOVMCRTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.52

Polar Surface Area

71.142

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K784-8729 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K784-8729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8729?
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What is the minimum amount of K784-8729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8729
  • 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 K784-8729 available by request