N117-0110 Screening compound: N~4~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxamide

N117-0110 Screening compound: N~4~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxamide
N117-0110 Screening compound: N~4~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-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 N117-0110
N~4~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-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

N117-0110

Molecular Formula

C27H36N6O3 (C27 H36 N6 O3)

Compound Name

N~4~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidinecarboxamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-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)NCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C27H36N6O3/c34-25-7-3-6-23-20-14-18(16-33(23)25)15-32(17-20)27(36)31-12-9-19(10-13-31)26(35)28-11-8-24-29-21-4-1-2-5-22(21)30-24/h1-2,4-5,18-20,23H,3,6-17H2,(H,28,35)(H,29,30)/t18-,20+,23+/m0/s1

InChI Key

YDNYYNGYAZBXQN-JXHRLWIKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.758

Distribution Coefficient, logD

1.744

Water Solubility, LogSw

-2.02

Polar Surface Area

79.462

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

62.96

N117-0110 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with N117-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of N117-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N117-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N117-0110
  • 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 N117-0110 available by request