6456-0323 Screening compound: N-(5-benzyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)-1,3-benzothiazol-2-amine

6456-0323 Screening compound: N-(5-benzyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)-1,3-benzothiazol-2-amine
6456-0323 Screening compound: N-(5-benzyl-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 6456-0323
N-(5-benzyl-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

6456-0323

Molecular Formula

C17H17N5S (C17 H17 N5 S)

Compound Name

N-(5-benzyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)-1,3-benzothiazol-2-amine

IUPAC name

N-(5-benzyl-1456-tetrahydro-135-triazin-2-yl)-13-benzothiazol-2-amine

SMILES

C(c1ccccc1)N1CN=C(Nc2nc(cccc3)c3s2)NC1

InChI

InChI=1S/C17H17N5S/c1-2-6-13(7-3-1)10-22-11-18-16(19-12-22)21-17-20-14-8-4-5-9-15(14)23-17/h1-9H,10-12H2,(H2,18,19,20,21)

InChI Key

KCXUCCDSPWSBOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03904099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

-1.564

Water Solubility, LogSw

-4.32

Polar Surface Area

42.806

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

13.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

6456-0323 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

References: we are preparing a list of scientific research reports with 6456-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0323?
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What is the minimum amount of 6456-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0323
  • 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 6456-0323 available by request