N106-0442 Screening compound: 1-(MORPHOLIN-4-YL)-4-[7-(2-PHENOXYACETYL)-1,7-DIAZATRICYCLO[7.3.1.0^(5,13)]TRIDECAN-6-YL]BUTAN-1-ONE

N106-0442 Screening compound: 1-(MORPHOLIN-4-YL)-4-[7-(2-PHENOXYACETYL)-1,7-DIAZATRICYCLO[7.3.1.0^(5,13)]TRIDECAN-6-YL]BUTAN-1-ONE
N106-0442 Screening compound: 1-(MORPHOLIN-4-YL)-4-[7-(2-PHENOXYACETYL)-1,7-DIAZATRICYCLO[7.3.1.0^(5,13)]TRIDECAN-6-YL]BUTAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0442
1-(MORPHOLIN-4-YL)-4-[7-(2-PHENOXYACETYL)-1,7-DIAZATRICYCLO[7.3.1.0^(5,13)]TRIDECAN-6-YL]BUTAN-1-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

N106-0442

Molecular Formula

C27H39N3O4 (C27 H39 N3 O4)

Compound Name

1-(MORPHOLIN-4-YL)-4-[7-(2-PHENOXYACETYL)-1,7-DIAZATRICYCLO[7.3.1.0^(5,13)]TRIDECAN-6-YL]BUTAN-1-ONE

IUPAC name

1-(morpholin-4-yl)-4-[(5R6R9S13S)-7-(2-phenoxyacetyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butan-1-one

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(COc1ccccc1)=O)N1CCOCC1

InChI

InChI=1S/C27H39N3O4/c31-25(28-15-17-33-18-16-28)12-4-11-24-23-10-6-14-29-13-5-7-21(27(23)29)19-30(24)26(32)20-34-22-8-2-1-3-9-22/h1-3,8-9,21,23-24,27H,4-7,10-20H2/t21-,23+,24+,27-/m0/s1

InChI Key

KFFXIDRPHICEED-WDGUNVFXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.469

Distribution Coefficient, logD

-1.108

Water Solubility, LogSw

-1.63

Polar Surface Area

50.194

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

70.37

N106-0442 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with N106-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0442?
Check Price and Availability of N106-0442, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N106-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0442
  • 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 N106-0442 available by request