5954-4182 Screening compound: morpholino[10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-trien-5-yl]methanone

5954-4182 Screening compound: morpholino[10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-trien-5-yl]methanone
5954-4182 Screening compound: morpholino[10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-trien-5-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5954-4182
morpholino[10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-trien-5-yl]methanone

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

5954-4182

Molecular Formula

C25H28N2O2 (C25 H28 N2 O2)

Compound Name

morpholino[10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-trien-5-yl]methanone

IUPAC name

5-(morpholine-4-carbonyl)-10-phenyl-9-azatetracyclo[10.2.1.0^{211}.0^{38}]pentadeca-3(8)46-triene

SMILES

O=C(c(cc1)cc(C2C3C4CC2CC4)c1NC3c1ccccc1)N1CCOCC1

InChI

InChI=1S/C25H28N2O2/c28-25(27-10-12-29-13-11-27)19-8-9-21-20(15-19)22-17-6-7-18(14-17)23(22)24(26-21)16-4-2-1-3-5-16/h1-5,8-9,15,17-18,22-24,26H,6-7,10-14H2

InChI Key

QHAQFOIXFHDOMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03997865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.924

Distribution Coefficient, logD

3.924

Water Solubility, LogSw

-4.27

Polar Surface Area

37.165

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

48.00

5954-4182 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5954-4182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5954-4182?
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What is the minimum amount of 5954-4182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5954-4182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5954-4182
  • 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 5954-4182 available by request