D718-1273 Screening compound: 4-(4-METHOXYPHENYL)-11-[2-(MORPHOLIN-4-YL)ETHYL]-2,3,5,7,11-PENTAAZATRICYCLO[7.4.0.0^(2,6)]TRIDECA-1(9),3,5,7,12-PENTAEN-10-ONE

D718-1273 Screening compound: 4-(4-METHOXYPHENYL)-11-[2-(MORPHOLIN-4-YL)ETHYL]-2,3,5,7,11-PENTAAZATRICYCLO[7.4.0.0^(2,6)]TRIDECA-1(9),3,5,7,12-PENTAEN-10-ONE
D718-1273 Screening compound: 4-(4-METHOXYPHENYL)-11-[2-(MORPHOLIN-4-YL)ETHYL]-2,3,5,7,11-PENTAAZATRICYCLO[7.4.0.0^(2,6)]TRIDECA-1(9),3,5,7,12-PENTAEN-10-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1273
4-(4-METHOXYPHENYL)-11-[2-(MORPHOLIN-4-YL)ETHYL]-2,3,5,7,11-PENTAAZATRICYCLO[7.4.0.0^(2,6)]TRIDECA-1(9),3,5,7,12-PENTAEN-10-ONE

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

D718-1273

Molecular Formula

C21H22N6O3 (C21 H22 N6 O3)

Compound Name

4-(4-METHOXYPHENYL)-11-[2-(MORPHOLIN-4-YL)ETHYL]-2,3,5,7,11-PENTAAZATRICYCLO[7.4.0.0^(2,6)]TRIDECA-1(9),3,5,7,12-PENTAEN-10-ONE

IUPAC name

4-(4-methoxyphenyl)-11-[2-(morpholin-4-yl)ethyl]-235711-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

COc(cc1)ccc1-c(nc1nc2)nn1c(C=CN1CCN3CCOCC3)c2C1=O

InChI

InChI=1S/C21H22N6O3/c1-29-16-4-2-15(3-5-16)19-23-21-22-14-17-18(27(21)24-19)6-7-26(20(17)28)9-8-25-10-12-30-13-11-25/h2-7,14H,8-13H2,1H3

InChI Key

BBUJVQXKRDQTSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09766876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.411

Distribution Coefficient, logD

1.401

Water Solubility, LogSw

-1.89

Polar Surface Area

69.950

Acid Dissociation Constant (pKa)

29.12

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D718-1273 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 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 D718-1273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1273?
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What is the minimum amount of D718-1273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1273
  • 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 D718-1273 available by request