N107-0031 Screening compound: (1R,2R,9S)-11-(cyclopropylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N107-0031 Screening compound: (1R,2R,9S)-11-(cyclopropylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N107-0031 Screening compound: (1R,2R,9S)-11-(cyclopropylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N107-0031
(1R,2R,9S)-11-(cyclopropylcarbonyl)-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

N107-0031

Molecular Formula

C15H22N2O2 (C15 H22 N2 O2)

Compound Name

(1R,2R,9S)-11-(cyclopropylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-cyclopropanecarbonyl-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(C1CC1)N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C15H22N2O2/c18-14-3-1-2-13-12-6-10(8-17(13)14)7-16(9-12)15(19)11-4-5-11/h10-13H,1-9H2/t10-,12+,13+/m0/s1

InChI Key

CTSFPRWFRQBNAU-CYZMBNFOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.084

Distribution Coefficient, logD

1.084

Water Solubility, LogSw

-1.11

Polar Surface Area

33.643

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

86.67

N107-0031 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Pool
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with N107-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N107-0031?
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What is the minimum amount of N107-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N107-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N107-0031
  • 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 N107-0031 available by request