K784-8731 Screening compound: 2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-methylcyclohexyl)acetamide

K784-8731 Screening compound: 2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-methylcyclohexyl)acetamide
K784-8731 Screening compound: 2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-methylcyclohexyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8731
2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-methylcyclohexyl)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

K784-8731

Molecular Formula

C23H27ClFN5OS (C23 H27 ClFN5 OS)

Compound Name

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

IUPAC name

2-({6-[(2-chloro-6-fluorophenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-(4-methylcyclohexyl)acetamide

SMILES

CC(CC1)CCC1NC(CSc1nn2c(C)c(Cc(c(F)ccc3)c3Cl)c(C)nc2n1)=O

InChI

InChI=1S/C23H27ClFN5OS/c1-13-7-9-16(10-8-13)27-21(31)12-32-23-28-22-26-14(2)17(15(3)30(22)29-23)11-18-19(24)5-4-6-20(18)25/h4-6,13,16H,7-12H2,1-3H3,(H,27,31)

InChI Key

HADDPHPXYGHZAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.400

Distribution Coefficient, logD

5.400

Water Solubility, LogSw

-5.84

Polar Surface Area

53.752

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

K784-8731 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 K784-8731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8731?
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What is the minimum amount of K784-8731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8731
  • 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 K784-8731 available by request