K615-0044 Screening compound: N-benzyl-2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

K615-0044 Screening compound: N-benzyl-2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
K615-0044 Screening compound: N-benzyl-2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K615-0044
N-benzyl-2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]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

K615-0044

Molecular Formula

C27H30N8O3S2 (C27 H30 N8 O3 S2)

Compound Name

N-benzyl-2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-benzyl-2-[(6-{[46-bis(morpholin-4-yl)-135-triazin-2-yl]amino}-13-benzothiazol-2-yl)sulfanyl]acetamide

SMILES

O=C(CSc1nc(ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c2)c2s1)NCc1ccccc1

InChI

InChI=1S/C27H30N8O3S2/c36-23(28-17-19-4-2-1-3-5-19)18-39-27-30-21-7-6-20(16-22(21)40-27)29-24-31-25(34-8-12-37-13-9-34)33-26(32-24)35-10-14-38-15-11-35/h1-7,16H,8-15,17-18H2,(H,28,36)(H,29,31,32,33)

InChI Key

GFOMPRYCYFJXKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.425

Distribution Coefficient, logD

5.423

Water Solubility, LogSw

-5.65

Polar Surface Area

94.009

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

K615-0044 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K615-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K615-0044?
Check Price and Availability of K615-0044, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K615-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K615-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K615-0044
  • 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 K615-0044 available by request