N109-0043 Screening compound: (1S2R9R)-11-[1-(35-DIFLUOROBENZOYL)PIPERIDIN-4-YL]-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECAN-6-ONE

N109-0043 Screening compound: (1S2R9R)-11-[1-(35-DIFLUOROBENZOYL)PIPERIDIN-4-YL]-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECAN-6-ONE
N109-0043 Screening compound: (1S2R9R)-11-[1-(35-DIFLUOROBENZOYL)PIPERIDIN-4-YL]-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECAN-6-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound N109-0043
(1S2R9R)-11-[1-(35-DIFLUOROBENZOYL)PIPERIDIN-4-YL]-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECAN-6-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

N109-0043

Molecular Formula

C23H29F2N3O2 (C23 H29 F2 N3 O2)

Compound Name

(1S2R9R)-11-[1-(35-DIFLUOROBENZOYL)PIPERIDIN-4-YL]-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECAN-6-ONE

IUPAC name

(1S2R9R)-11-[1-(35-difluorobenzoyl)piperidin-4-yl]-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(c1cc(F)cc(F)c1)N(CC1)CCC1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C23H29F2N3O2/c24-18-9-16(10-19(25)11-18)23(30)26-6-4-20(5-7-26)27-12-15-8-17(14-27)21-2-1-3-22(29)28(21)13-15/h9-11,15,17,20-21H,1-8,12-14H2/t15-,17+,21+/m0/s1

InChI Key

YNUDWOXFCZMTBR-LUQKVYGDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

-0.658

Water Solubility, LogSw

-2.45

Polar Surface Area

36.214

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

10.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.22

N109-0043 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with N109-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N109-0043?
Check Price and Availability of N109-0043, 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 N109-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N109-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N109-0043
  • 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 N109-0043 available by request