K784-2144 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-methoxyphenyl)butanamide

K784-2144 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-methoxyphenyl)butanamide
K784-2144 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-methoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-2144
2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-methoxyphenyl)butanamide

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

K784-2144

Molecular Formula

C28H28N4O4S (C28 H28 N4 O4 S)

Compound Name

2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-methoxyphenyl)butanamide

IUPAC name

2-{[56-bis(4-methoxyphenyl)-124-triazin-3-yl]sulfanyl}-N-(3-methoxyphenyl)butanamide

SMILES

CCC(C(Nc1cc(OC)ccc1)=O)Sc1nnc(-c(cc2)ccc2OC)c(-c(cc2)ccc2OC)n1

InChI

InChI=1S/C28H28N4O4S/c1-5-24(27(33)29-20-7-6-8-23(17-20)36-4)37-28-30-25(18-9-13-21(34-2)14-10-18)26(31-32-28)19-11-15-22(35-3)16-12-19/h6-17,24H,5H2,1-4H3,(H,29,33)/t24-/m0/s1

InChI Key

IZDGDGRWDQXEOL-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15097214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.613

Distribution Coefficient, logD

5.613

Water Solubility, LogSw

-5.43

Polar Surface Area

77.379

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

K784-2144 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Cancer

References: we are preparing a list of scientific research reports with K784-2144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-2144?
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What is the minimum amount of K784-2144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-2144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-2144
  • 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 K784-2144 available by request