N107-0176 Screening compound: (1R,2R,9S)-11-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N107-0176 Screening compound: (1R,2R,9S)-11-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N107-0176 Screening compound: (1R,2R,9S)-11-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N107-0176
(1R,2R,9S)-11-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-7,11-diazatricyclo[7.3.1.0~2,7~]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

N107-0176

Molecular Formula

C19H28N4O2 (C19 H28 N4 O2)

Compound Name

(1R,2R,9S)-11-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-[3-(35-dimethyl-1H-pyrazol-1-yl)propanoyl]-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

Cc1cc(C)nn1CCC(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O

InChI

InChI=1S/C19H28N4O2/c1-13-8-14(2)23(20-13)7-6-18(24)21-10-15-9-16(12-21)17-4-3-5-19(25)22(17)11-15/h8,15-17H,3-7,9-12H2,1-2H3/t15-,16+,17+/m0/s1

InChI Key

KVQQNFLHCWIGNZ-GVDBMIGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.302

Distribution Coefficient, logD

0.302

Water Solubility, LogSw

-0.89

Polar Surface Area

46.578

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

73.68

N107-0176 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N107-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N107-0176?
Check Price and Availability of N107-0176, 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 N107-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N107-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N107-0176
  • 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 N107-0176 available by request