5470-0018 Screening compound: N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine

5470-0018 Screening compound: N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
5470-0018 Screening compound: N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5470-0018
N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine

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

5470-0018

Molecular Formula

C23H23N7O2 (C23 H23 N7 O2)

Compound Name

N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-[4-(13-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-(prop-2-en-1-yl)-135-triazine-24-diamine

SMILES

C=CCNc1nc(N2CCOCC2)nc(Nc(cc2)ccc2-c2nc(cccc3)c3o2)n1

InChI

InChI=1S/C23H23N7O2/c1-2-11-24-21-27-22(29-23(28-21)30-12-14-31-15-13-30)25-17-9-7-16(8-10-17)20-26-18-5-3-4-6-19(18)32-20/h2-10H,1,11-15H2,(H2,24,25,27,28,29)

InChI Key

LGJBTFOFTLOYMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

5.311

Water Solubility, LogSw

-5.77

Polar Surface Area

78.731

Acid Dissociation Constant (pKa)

16.74

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

5470-0018 in Drug Discovery

Included in Screening Libraries

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

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 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 5470-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5470-0018?
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What is the minimum amount of 5470-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5470-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5470-0018
  • 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 5470-0018 available by request