N117-0067 Screening compound: N~4~-cyclopentyl-1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxamide

N117-0067 Screening compound: N~4~-cyclopentyl-1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxamide
N117-0067 Screening compound: N~4~-cyclopentyl-1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N117-0067
N~4~-cyclopentyl-1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxamide

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

N117-0067

Molecular Formula

C23H36N4O3 (C23 H36 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O)NC1CCCC1

InChI

InChI=1S/C23H36N4O3/c28-21-7-3-6-20-18-12-16(14-27(20)21)13-26(15-18)23(30)25-10-8-17(9-11-25)22(29)24-19-4-1-2-5-19/h16-20H,1-15H2,(H,24,29)/t16-,18+,20+/m0/s1

InChI Key

XVNCDHKXQYTWSI-ILZDJORESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.702

Distribution Coefficient, logD

1.702

Water Solubility, LogSw

-2.02

Polar Surface Area

59.431

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

86.96

N117-0067 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 N117-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N117-0067?
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What is the minimum amount of N117-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N117-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N117-0067
  • 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 N117-0067 available by request