N117-0001 Screening compound: 1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxylic acid

N117-0001 Screening compound: 1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxylic acid
N117-0001 Screening compound: 1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound N117-0001
1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxylic acid

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

N117-0001

Molecular Formula

C18H27N3O4 (C18 H27 N3 O4)

Compound Name

1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxylic acid

IUPAC name

1-[(1R2R9S)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carbonyl]piperidine-4-carboxylic acid

SMILES

OC(C(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O)=O

InChI

InChI=1S/C18H27N3O4/c22-16-3-1-2-15-14-8-12(10-21(15)16)9-20(11-14)18(25)19-6-4-13(5-7-19)17(23)24/h12-15H,1-11H2,(H,23,24)/t12-,14+,15+/m0/s1

InChI Key

OTXAAPKPBMFNSO-NWANDNLSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.194

Distribution Coefficient, logD

-2.360

Water Solubility, LogSw

-0.43

Polar Surface Area

63.334

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

83.33

N117-0001 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with N117-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N117-0001?
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What is the minimum amount of N117-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N117-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N117-0001
  • 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 N117-0001 available by request