N107-0044 Screening compound: (1R,2R,9S)-N~11~-(2-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridecane-11-carboxamide

N107-0044 Screening compound: (1R,2R,9S)-N~11~-(2-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridecane-11-carboxamide
N107-0044 Screening compound: (1R,2R,9S)-N~11~-(2-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridecane-11-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N107-0044
(1R,2R,9S)-N~11~-(2-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridecane-11-carboxamide

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

N107-0044

Molecular Formula

C18H22FN3O2 (C18 H22 FN3 O2)

Compound Name

(1R,2R,9S)-N~11~-(2-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridecane-11-carboxamide

IUPAC name

(1R2R9S)-N-(2-fluorophenyl)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carboxamide

SMILES

O=C(Nc(cccc1)c1F)N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C18H22FN3O2/c19-14-4-1-2-5-15(14)20-18(24)21-9-12-8-13(11-21)16-6-3-7-17(23)22(16)10-12/h1-2,4-5,12-13,16H,3,6-11H2,(H,20,24)/t12-,13+,16+/m0/s1

InChI Key

RNBXTSUBMXOOCB-WOSRLPQWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.269

Distribution Coefficient, logD

2.269

Water Solubility, LogSw

-2.76

Polar Surface Area

41.243

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

55.56

N107-0044 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N107-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N107-0044?
Check Price and Availability of N107-0044, 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 N107-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N107-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N107-0044
  • 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 N107-0044 available by request