K784-2145 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide

K784-2145 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide
K784-2145 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-2145
2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)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

K784-2145

Molecular Formula

C27H25ClN4O3S (C27 H25 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1cccc(Cl)c1)=O)Sc1nnc(-c(cc2)ccc2OC)c(-c(cc2)ccc2OC)n1

InChI

InChI=1S/C27H25ClN4O3S/c1-4-23(26(33)29-20-7-5-6-19(28)16-20)36-27-30-24(17-8-12-21(34-2)13-9-17)25(31-32-27)18-10-14-22(35-3)15-11-18/h5-16,23H,4H2,1-3H3,(H,29,33)/t23-/m0/s1

InChI Key

AWXCGGXDUGLWRU-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15097215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.300

Distribution Coefficient, logD

6.300

Water Solubility, LogSw

-6.22

Polar Surface Area

69.835

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

K784-2145 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K784-2145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-2145?
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What is the minimum amount of K784-2145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-2145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-2145
  • 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 K784-2145 available by request