6456-0324 Screening compound: N-{5-[2-(morpholin-4-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzothiazol-2-amine

6456-0324 Screening compound: N-{5-[2-(morpholin-4-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzothiazol-2-amine
6456-0324 Screening compound: N-{5-[2-(morpholin-4-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzothiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6456-0324
N-{5-[2-(morpholin-4-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzothiazol-2-amine

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

6456-0324

Molecular Formula

C16H22N6OS (C16 H22 N6 OS)

Compound Name

N-{5-[2-(morpholin-4-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzothiazol-2-amine

IUPAC name

N-{5-[2-(morpholin-4-yl)ethyl]-1456-tetrahydro-135-triazin-2-yl}-13-benzothiazol-2-amine

SMILES

C(CN1CN=C(Nc2nc(cccc3)c3s2)NC1)N1CCOCC1

InChI

InChI=1S/C16H22N6OS/c1-2-4-14-13(3-1)19-16(24-14)20-15-17-11-22(12-18-15)6-5-21-7-9-23-10-8-21/h1-4H,5-12H2,(H2,17,18,19,20)

InChI Key

VQCVCQXFXRDCIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03904100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

-3.136

Water Solubility, LogSw

-2.42

Polar Surface Area

54.675

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

12.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

6456-0324 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6456-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0324?
Check Price and Availability of 6456-0324, 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 6456-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0324
  • 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 6456-0324 available by request