K784-2896 Screening compound: 2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)acetamide

K784-2896 Screening compound: 2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)acetamide
K784-2896 Screening compound: 2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-2896
2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)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

K784-2896

Molecular Formula

C29H26N6O2S (C29 H26 N6 O2 S)

Compound Name

2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)acetamide

IUPAC name

2-{[56-bis(4-methylphenyl)-124-triazin-3-yl]sulfanyl}-N-({6-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)acetamide

SMILES

Cc(cc1)ccc1-c1nc(SCC(NCC(N=C2N3C(C)=CC=C2)=CC3=O)=O)nnc1-c1ccc(C)cc1

InChI

InChI=1S/C29H26N6O2S/c1-18-7-11-21(12-8-18)27-28(22-13-9-19(2)10-14-22)33-34-29(32-27)38-17-25(36)30-16-23-15-26(37)35-20(3)5-4-6-24(35)31-23/h4-15H,16-17H2,1-3H3,(H,30,36)

InChI Key

NUIZPTAZAPLREE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

4.112

Water Solubility, LogSw

-4.15

Polar Surface Area

81.508

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

K784-2896 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-2896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-2896?
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What is the minimum amount of K784-2896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-2896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-2896
  • 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 K784-2896 available by request