N118-0025 Screening compound: 3-(4-methoxyphenyl)-N~1~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)propanamide

N118-0025 Screening compound: 3-(4-methoxyphenyl)-N~1~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)propanamide
N118-0025 Screening compound: 3-(4-methoxyphenyl)-N~1~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N118-0025
3-(4-methoxyphenyl)-N~1~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)propanamide

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

N118-0025

Molecular Formula

C27H38N4O4 (C27 H38 N4 O4)

Compound Name

3-(4-methoxyphenyl)-N~1~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)propanamide

IUPAC name

3-(4-methoxyphenyl)-N-{1-[(1R2R9S)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carbonyl]piperidin-4-yl}propanamide

SMILES

COc1ccc(CCC(NC(CC2)CCN2C(N(C[C@@H](C2)C3)C[C@@H]2[C@@H](CCC2)N3C2=O)=O)=O)cc1

InChI

InChI=1S/C27H38N4O4/c1-35-23-8-5-19(6-9-23)7-10-25(32)28-22-11-13-29(14-12-22)27(34)30-16-20-15-21(18-30)24-3-2-4-26(33)31(24)17-20/h5-6,8-9,20-22,24H,2-4,7,10-18H2,1H3,(H,28,32)/t20-,21+,24+/m0/s1

InChI Key

ZZUFGWUNTIUSHX-YZUZCNPQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.331

Water Solubility, LogSw

-2.62

Polar Surface Area

66.203

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.67

N118-0025 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with N118-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N118-0025?
Check Price and Availability of N118-0025, 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 N118-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N118-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N118-0025
  • 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 N118-0025 available by request