N106-1430 Screening compound: N-BENZYL-4-[(5R6R9S13S)-7-(1-ETHYL-1H-PYRAZOLE-3-CARBONYL)-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]BUTANAMIDE

N106-1430 Screening compound: N-BENZYL-4-[(5R6R9S13S)-7-(1-ETHYL-1H-PYRAZOLE-3-CARBONYL)-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]BUTANAMIDE
N106-1430 Screening compound: N-BENZYL-4-[(5R6R9S13S)-7-(1-ETHYL-1H-PYRAZOLE-3-CARBONYL)-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1430
N-BENZYL-4-[(5R6R9S13S)-7-(1-ETHYL-1H-PYRAZOLE-3-CARBONYL)-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]BUTANAMIDE

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

N106-1430

Molecular Formula

C28H39N5O2 (C28 H39 N5 O2)

Compound Name

N-BENZYL-4-[(5R6R9S13S)-7-(1-ETHYL-1H-PYRAZOLE-3-CARBONYL)-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]BUTANAMIDE

IUPAC name

n/a

SMILES

CCn(cc1)nc1C(N(C[C@@H]1CCC2)[C@H](CCCC(NCc3ccccc3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C28H39N5O2/c1-2-32-18-15-24(30-32)28(35)33-20-22-11-7-16-31-17-8-12-23(27(22)31)25(33)13-6-14-26(34)29-19-21-9-4-3-5-10-21/h3-5,9-10,15,18,22-23,25,27H,2,6-8,11-14,16-17,19-20H2,1H3,(H,29,34)/t22-,23-,25-,27-/m1/s1

InChI Key

QUMSQEMDKLLUNQ-JTOATPROSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.884

Distribution Coefficient, logD

-0.577

Water Solubility, LogSw

-2.16

Polar Surface Area

57.778

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

60.70

N106-1430 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)

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with N106-1430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1430?
Check Price and Availability of N106-1430, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N106-1430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1430
  • 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 N106-1430 available by request