N118-0013 Screening compound: N~1~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-1-cyclobutanecarboxamide

N118-0013 Screening compound: N~1~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-1-cyclobutanecarboxamide
N118-0013 Screening compound: N~1~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N118-0013
N~1~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-1-cyclobutanecarboxamide

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

N118-0013

Molecular Formula

C22H34N4O3 (C22 H34 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCC1)NC(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O

InChI

InChI=1S/C22H34N4O3/c27-20-6-2-5-19-17-11-15(13-26(19)20)12-25(14-17)22(29)24-9-7-18(8-10-24)23-21(28)16-3-1-4-16/h15-19H,1-14H2,(H,23,28)/t15-,17+,19+/m0/s1

InChI Key

QJVOYHUQNSVWQA-KVSKMBFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

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

0.701

Distribution Coefficient, logD

0.701

Water Solubility, LogSw

-1.11

Polar Surface Area

59.396

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

86.36

N118-0013 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with N118-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N118-0013?
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What is the minimum amount of N118-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N118-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N118-0013
  • 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 N118-0013 available by request