6456-0320 Screening compound: N-(1,3-benzoxazol-2-yl)-N-(5-phenethyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)amine

6456-0320 Screening compound: N-(1,3-benzoxazol-2-yl)-N-(5-phenethyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)amine
6456-0320 Screening compound: N-(1,3-benzoxazol-2-yl)-N-(5-phenethyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6456-0320
N-(1,3-benzoxazol-2-yl)-N-(5-phenethyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)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

6456-0320

Molecular Formula

C18H19N5O (C18 H19 N5 O)

Compound Name

N-(1,3-benzoxazol-2-yl)-N-(5-phenethyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)amine

IUPAC name

N-[5-(2-phenylethyl)-1456-tetrahydro-135-triazin-2-yl]-13-benzoxazol-2-amine

SMILES

C(CN1CN=C(Nc2nc(cccc3)c3o2)NC1)c1ccccc1

InChI

InChI=1S/C18H19N5O/c1-2-6-14(7-3-1)10-11-23-12-19-17(20-13-23)22-18-21-15-8-4-5-9-16(15)24-18/h1-9H,10-13H2,(H2,19,20,21,22)

InChI Key

DWOFIMUFCYMGPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03904096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.558

Distribution Coefficient, logD

-1.841

Water Solubility, LogSw

-3.61

Polar Surface Area

51.417

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

10.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

6456-0320 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6456-0320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0320?
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What is the minimum amount of 6456-0320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0320
  • 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 6456-0320 available by request