N107-0279 Screening compound: (1R,2R,9S)-11-[(5-methyl-3-isoxazolyl)carbonyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N107-0279 Screening compound: (1R,2R,9S)-11-[(5-methyl-3-isoxazolyl)carbonyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N107-0279 Screening compound: (1R,2R,9S)-11-[(5-methyl-3-isoxazolyl)carbonyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N107-0279
(1R,2R,9S)-11-[(5-methyl-3-isoxazolyl)carbonyl]-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

N107-0279

Molecular Formula

C16H21N3O3 (C16 H21 N3 O3)

Compound Name

(1R,2R,9S)-11-[(5-methyl-3-isoxazolyl)carbonyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-(5-methyl-12-oxazole-3-carbonyl)-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

Cc1cc(C(N(C[C@@H](C2)C3)C[C@@H]2[C@@H](CCC2)N3C2=O)=O)no1

InChI

InChI=1S/C16H21N3O3/c1-10-5-13(17-22-10)16(21)18-7-11-6-12(9-18)14-3-2-4-15(20)19(14)8-11/h5,11-12,14H,2-4,6-9H2,1H3/t11-,12+,14+/m0/s1

InChI Key

LQYXCZDCYOOJFI-OUCADQQQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.241

Distribution Coefficient, logD

1.241

Water Solubility, LogSw

-1.54

Polar Surface Area

54.349

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.75

N107-0279 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with N107-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N107-0279?
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What is the minimum amount of N107-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N107-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N107-0279
  • 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 N107-0279 available by request