N118-0101 Screening compound: N-cyclohexyl-N'-(1-{[(1S,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)urea

N118-0101 Screening compound: N-cyclohexyl-N'-(1-{[(1S,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)urea
N118-0101 Screening compound: N-cyclohexyl-N'-(1-{[(1S,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 N118-0101
N-cyclohexyl-N'-(1-{[(1S,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

N118-0101

Molecular Formula

C24H39N5O3 (C24 H39 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(NC1CCCCC1)NC(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O

InChI

InChI=1S/C24H39N5O3/c30-22-8-4-7-21-18-13-17(15-29(21)22)14-28(16-18)24(32)27-11-9-20(10-12-27)26-23(31)25-19-5-2-1-3-6-19/h17-21H,1-16H2,(H2,25,26,31)/t17-,18+,21+/m0/s1

InChI Key

IAGFVCBSHTWDSJ-WAOWUJCRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.240

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-2.36

Polar Surface Area

69.132

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

87.50

N118-0101 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Natural-Product-Based Library (3730 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with N118-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N118-0101?
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What is the minimum amount of N118-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N118-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N118-0101
  • 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 N118-0101 available by request