N118-0110 Screening compound: N-(4-methylbenzyl)-N'-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)urea

N118-0110 Screening compound: N-(4-methylbenzyl)-N'-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)urea
N118-0110 Screening compound: N-(4-methylbenzyl)-N'-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound N118-0110
N-(4-methylbenzyl)-N'-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)urea

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

N118-0110

Molecular Formula

C26H37N5O3 (C26 H37 N5 O3)

Compound Name

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

IUPAC name

1-[(4-methylphenyl)methyl]-3-{1-[(1R2R9S)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carbonyl]piperidin-4-yl}urea

SMILES

Cc1ccc(CNC(NC(CC2)CCN2C(N(C[C@@H](C2)C3)C[C@@H]2[C@@H](CCC2)N3C2=O)=O)=O)cc1

InChI

InChI=1S/C26H37N5O3/c1-18-5-7-19(8-6-18)14-27-25(33)28-22-9-11-29(12-10-22)26(34)30-15-20-13-21(17-30)23-3-2-4-24(32)31(23)16-20/h5-8,20-23H,2-4,9-17H2,1H3,(H2,27,28,33)/t20-,21+,23+/m0/s1

InChI Key

LGHRSXIFWBHPOV-QZNHQXDQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

2.060

Water Solubility, LogSw

-2.56

Polar Surface Area

69.406

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.39

N118-0110 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 N118-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N118-0110?
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What is the minimum amount of N118-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N118-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N118-0110
  • 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 N118-0110 available by request