N117-0137 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-4-carboxamide

N117-0137 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-4-carboxamide
N117-0137 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N117-0137
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-4-carboxamide

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

N117-0137

Molecular Formula

C27H46N6O3 (C27 H46 N6 O3)

Compound Name

N-[3-(4-ethylpiperazin-1-yl)propyl]-1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-4-carboxamide

IUPAC name

N-[3-(4-ethylpiperazin-1-yl)propyl]-1-[(1R2R9S)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carbonyl]piperidine-4-carboxamide

SMILES

CCN1CCN(CCCNC(C(CC2)CCN2C(N(C[C@@H](C2)C3)C[C@@H]2[C@@H](CCC2)N3C2=O)=O)=O)CC1

InChI

InChI=1S/C27H46N6O3/c1-2-29-13-15-30(16-14-29)10-4-9-28-26(35)22-7-11-31(12-8-22)27(36)32-18-21-17-23(20-32)24-5-3-6-25(34)33(24)19-21/h21-24H,2-20H2,1H3,(H,28,35)/t21-,23+,24+/m0/s1

InChI Key

UGIOJIKYOOWTHZ-QPTUXGOLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.400

Distribution Coefficient, logD

-0.548

Water Solubility, LogSw

-1.15

Polar Surface Area

66.700

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

88.89

N117-0137 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with N117-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N117-0137?
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What is the minimum amount of N117-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N117-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N117-0137
  • 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 N117-0137 available by request