N118-0042 Screening compound: 1-METHYL-N-{1-[(1R2R9S)-6-OXO-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECANE-11-CARBONYL]PIPERIDIN-4-YL}-1H-INDAZOLE-3-CARBOXAMIDE

N118-0042 Screening compound: 1-METHYL-N-{1-[(1R2R9S)-6-OXO-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECANE-11-CARBONYL]PIPERIDIN-4-YL}-1H-INDAZOLE-3-CARBOXAMIDE
N118-0042 Screening compound: 1-METHYL-N-{1-[(1R2R9S)-6-OXO-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECANE-11-CARBONYL]PIPERIDIN-4-YL}-1H-INDAZOLE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound N118-0042
1-METHYL-N-{1-[(1R2R9S)-6-OXO-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECANE-11-CARBONYL]PIPERIDIN-4-YL}-1H-INDAZOLE-3-CARBOXAMIDE

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

N118-0042

Molecular Formula

C26H34N6O3 (C26 H34 N6 O3)

Compound Name

1-METHYL-N-{1-[(1R2R9S)-6-OXO-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECANE-11-CARBONYL]PIPERIDIN-4-YL}-1H-INDAZOLE-3-CARBOXAMIDE

IUPAC name

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

SMILES

Cn1nc(C(NC(CC2)CCN2C(N(C[C@@H](C2)C3)C[C@@H]2[C@@H](CCC2)N3C2=O)=O)=O)c2c1cccc2

InChI

InChI=1S/C26H34N6O3/c1-29-22-6-3-2-5-20(22)24(28-29)25(34)27-19-9-11-30(12-10-19)26(35)31-14-17-13-18(16-31)21-7-4-8-23(33)32(21)15-17/h2-3,5-6,17-19,21H,4,7-16H2,1H3,(H,27,34)/t17-,18+,21+/m0/s1

InChI Key

NVDBOMHBGAGAFP-WAOWUJCRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.485

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-2.13

Polar Surface Area

73.409

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.54

N118-0042 in Drug Discovery

Included in Screening Libraries

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

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 N118-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N118-0042?
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What is the minimum amount of N118-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N118-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N118-0042
  • 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 N118-0042 available by request