N118-0130 Screening compound: N-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)methanesulfonamide

N118-0130 Screening compound: N-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)methanesulfonamide
N118-0130 Screening compound: N-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N118-0130
N-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)methanesulfonamide

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

N118-0130

Molecular Formula

C18H30N4O4S (C18 H30 N4 O4 S)

Compound Name

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

IUPAC name

N-{1-[(1R2R9S)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carbonyl]piperidin-4-yl}methanesulfonamide

SMILES

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

InChI

InChI=1S/C18H30N4O4S/c1-27(25,26)19-15-5-7-20(8-6-15)18(24)21-10-13-9-14(12-21)16-3-2-4-17(23)22(16)11-13/h13-16,19H,2-12H2,1H3/t13-,14+,16+/m0/s1

InChI Key

ZMQUNKNAYIMMHE-SQWLQELKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.327

Distribution Coefficient, logD

0.327

Water Solubility, LogSw

-1.78

Polar Surface Area

77.649

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

88.89

N118-0130 in Drug Discovery

Included in Screening Libraries

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

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 N118-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N118-0130?
Check Price and Availability of N118-0130, 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 N118-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N118-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N118-0130
  • 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 N118-0130 available by request