K615-0041 Screening compound: ethyl 2-({6-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate

K615-0041 Screening compound: ethyl 2-({6-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate
K615-0041 Screening compound: ethyl 2-({6-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K615-0041
ethyl 2-({6-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate

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

K615-0041

Molecular Formula

C22H27N7O4S2 (C22 H27 N7 O4 S2)

Compound Name

ethyl 2-({6-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H27N7O4S2/c1-2-33-18(30)14-34-22-24-16-4-3-15(13-17(16)35-22)23-19-25-20(28-5-9-31-10-6-28)27-21(26-19)29-7-11-32-12-8-29/h3-4,13H,2,5-12,14H2,1H3,(H,23,25,26,27)

InChI Key

WFVTVSQVLLMKKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.955

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.53

Polar Surface Area

89.967

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K615-0041 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K615-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K615-0041?
Check Price and Availability of K615-0041, 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 K615-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K615-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K615-0041
  • 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 K615-0041 available by request