K784-3413 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine

K784-3413 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine
K784-3413 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-3413
3-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine

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

K784-3413

Molecular Formula

C28H28ClN3O6S (C28 H28 ClN3 O6 S)

Compound Name

3-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine

IUPAC name

3-{[(3-chlorophenyl)methyl]sulfanyl}-56-bis(345-trimethoxyphenyl)-124-triazine

SMILES

COc1cc(-c2nc(SCc3cccc(Cl)c3)nnc2-c(cc2OC)cc(OC)c2OC)cc(OC)c1OC

InChI

InChI=1S/C28H28ClN3O6S/c1-33-20-11-17(12-21(34-2)26(20)37-5)24-25(18-13-22(35-3)27(38-6)23(14-18)36-4)31-32-28(30-24)39-15-16-8-7-9-19(29)10-16/h7-14H,15H2,1-6H3

InChI Key

WKYMUWWLCZEZNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.07

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.379

Distribution Coefficient, logD

5.379

Water Solubility, LogSw

-6.00

Polar Surface Area

77.341

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K784-3413 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K784-3413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-3413?
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What is the minimum amount of K784-3413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-3413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-3413
  • 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 K784-3413 available by request