K615-0046 Screening compound: N2-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-N4,N6-diphenyl-1,3,5-triazine-2,4,6-triamine

K615-0046 Screening compound: N2-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-N4,N6-diphenyl-1,3,5-triazine-2,4,6-triamine
K615-0046 Screening compound: N2-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-N4,N6-diphenyl-1,3,5-triazine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K615-0046
N2-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-N4,N6-diphenyl-1,3,5-triazine-2,4,6-triamine

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

K615-0046

Molecular Formula

C24H21N7S2 (C24 H21 N7 S2)

Compound Name

N2-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-N4,N6-diphenyl-1,3,5-triazine-2,4,6-triamine

IUPAC name

N2-[2-(ethylsulfanyl)-13-benzothiazol-6-yl]-N4N6-diphenyl-135-triazine-246-triamine

SMILES

CCSc1nc(ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c2)c2s1

InChI

InChI=1S/C24H21N7S2/c1-2-32-24-28-19-14-13-18(15-20(19)33-24)27-23-30-21(25-16-9-5-3-6-10-16)29-22(31-23)26-17-11-7-4-8-12-17/h3-15H,2H2,1H3,(H3,25,26,27,29,30,31)

InChI Key

XAJDYZSKARUDGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.942

Distribution Coefficient, logD

7.936

Water Solubility, LogSw

-5.90

Polar Surface Area

69.326

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

K615-0046 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K615-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K615-0046?
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What is the minimum amount of K615-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K615-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K615-0046
  • 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 K615-0046 available by request