K786-0300 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide

K786-0300 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
K786-0300 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-({6-[(2-chlorophenyl)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 K786-0300
N-(5-chloro-2-methoxyphenyl)-2-({6-[(2-chlorophenyl)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

K786-0300

Molecular Formula

C23H21Cl2N5O2S (C23 H21 Cl2 N5 O2 S)

Compound Name

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

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-({6-[(2-chlorophenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)acetamide

SMILES

Cc1c(Cc(cccc2)c2Cl)c(C)nc2nc(SCC(Nc(cc(cc3)Cl)c3OC)=O)nn12

InChI

InChI=1S/C23H21Cl2N5O2S/c1-13-17(10-15-6-4-5-7-18(15)25)14(2)30-22(26-13)28-23(29-30)33-12-21(31)27-19-11-16(24)8-9-20(19)32-3/h4-9,11H,10,12H2,1-3H3,(H,27,31)

InChI Key

SLURCDJYDZZGFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.988

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-5.09

Polar Surface Area

59.637

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with K786-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0300?
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What is the minimum amount of K786-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0300
  • 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 K786-0300 available by request