N117-0140 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-4-carboxamide

N117-0140 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-4-carboxamide
N117-0140 Screening compound: N-{3-[cyclohexyl(methyl)amino]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 N117-0140
N-{3-[cyclohexyl(methyl)amino]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

N117-0140

Molecular Formula

C28H47N5O3 (C28 H47 N5 O3)

Compound Name

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

SMILES

CN(CCCNC(C(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O)=O)C1CCCCC1

InChI

InChI=1S/C28H47N5O3/c1-30(24-7-3-2-4-8-24)14-6-13-29-27(35)22-11-15-31(16-12-22)28(36)32-18-21-17-23(20-32)25-9-5-10-26(34)33(25)19-21/h21-25H,2-20H2,1H3,(H,29,35)/t21-,23+,25+/m0/s1

InChI Key

IDPAKSHRPLCVSQ-QQKQFIJSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.996

Distribution Coefficient, logD

-0.587

Water Solubility, LogSw

-2.27

Polar Surface Area

62.219

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

89.29

N117-0140 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 N117-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N117-0140?
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What is the minimum amount of N117-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N117-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N117-0140
  • 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 N117-0140 available by request