N107-0192 Screening compound: (1R,5R,11aR)-3-[(6-methoxy-1H-indol-2-yl)carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

N107-0192 Screening compound: (1R,5R,11aR)-3-[(6-methoxy-1H-indol-2-yl)carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
N107-0192 Screening compound: (1R,5R,11aR)-3-[(6-methoxy-1H-indol-2-yl)carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N107-0192
(1R,5R,11aR)-3-[(6-methoxy-1H-indol-2-yl)carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

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

N107-0192

Molecular Formula

C21H25N3O3 (C21 H25 N3 O3)

Compound Name

(1R,5R,11aR)-3-[(6-methoxy-1H-indol-2-yl)carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

IUPAC name

(1R2R9R)-11-(6-methoxy-1H-indole-2-carbonyl)-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

COc1cc([nH]c(C(N(C[C@@H](C2)C3)C[C@@H]2[C@@H](CCC2)N3C2=O)=O)c2)c2cc1

InChI

InChI=1S/C21H25N3O3/c1-27-16-6-5-14-8-18(22-17(14)9-16)21(26)23-10-13-7-15(12-23)19-3-2-4-20(25)24(19)11-13/h5-6,8-9,13,15,19,22H,2-4,7,10-12H2,1H3/t13-,15+,19+/m0/s1

InChI Key

WTEQDSZGAHIWFW-ZBQZNYHESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-3.41

Polar Surface Area

50.013

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.38

N107-0192 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 N107-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N107-0192?
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What is the minimum amount of N107-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N107-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N107-0192
  • 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 N107-0192 available by request