5470-0008 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-methoxy-6-morpholino-1,3,5-triazin-2-yl)amine

5470-0008 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-methoxy-6-morpholino-1,3,5-triazin-2-yl)amine
5470-0008 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-methoxy-6-morpholino-1,3,5-triazin-2-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5470-0008
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-methoxy-6-morpholino-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

5470-0008

Molecular Formula

C21H20N6O3 (C21 H20 N6 O3)

Compound Name

N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-methoxy-6-morpholino-1,3,5-triazin-2-yl)amine

IUPAC name

n/a

SMILES

COc1nc(Nc(cc2)ccc2-c2nc(cccc3)c3o2)nc(N2CCOCC2)n1

InChI

InChI=1S/C21H20N6O3/c1-28-21-25-19(24-20(26-21)27-10-12-29-13-11-27)22-15-8-6-14(7-9-15)18-23-16-4-2-3-5-17(16)30-18/h2-9H,10-13H2,1H3,(H,22,24,25,26)

InChI Key

HSONXMISCSSCQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.946

Distribution Coefficient, logD

4.946

Water Solubility, LogSw

-4.64

Polar Surface Area

74.594

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

5470-0008 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5470-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5470-0008?
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What is the minimum amount of 5470-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5470-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5470-0008
  • 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 5470-0008 available by request