N121-0780 Screening compound: 4-[(5R6R9S13S)-7-ACETYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-N-METHYL-N-[(PYRIDIN-3-YL)METHYL]BUTANAMIDE

N121-0780 Screening compound: 4-[(5R6R9S13S)-7-ACETYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-N-METHYL-N-[(PYRIDIN-3-YL)METHYL]BUTANAMIDE
N121-0780 Screening compound: 4-[(5R6R9S13S)-7-ACETYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-N-METHYL-N-[(PYRIDIN-3-YL)METHYL]BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0780
4-[(5R6R9S13S)-7-ACETYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-N-METHYL-N-[(PYRIDIN-3-YL)METHYL]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

N121-0780

Molecular Formula

C24H36N4O2 (C24 H36 N4 O2)

Compound Name

4-[(5R6R9S13S)-7-ACETYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-N-METHYL-N-[(PYRIDIN-3-YL)METHYL]BUTANAMIDE

IUPAC name

4-[(5R6R9S13S)-7-acetyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-methyl-N-[(pyridin-3-yl)methyl]butanamide

SMILES

CC(N(C[C@@H]1CCC2)[C@H](CCCC(N(C)Cc3cnccc3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C24H36N4O2/c1-18(29)28-17-20-8-5-13-27-14-6-9-21(24(20)27)22(28)10-3-11-23(30)26(2)16-19-7-4-12-25-15-19/h4,7,12,15,20-22,24H,3,5-6,8-11,13-14,16-17H2,1-2H3/t20-,21-,22-,24-/m1/s1

InChI Key

BUUTZHFBDSBARD-GBEXAXCTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.992

Distribution Coefficient, logD

-1.586

Water Solubility, LogSw

-1.07

Polar Surface Area

45.073

Acid Dissociation Constant (pKa)

23.31

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

70.83

N121-0780 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CNS BBB Library (22607 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N121-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0780?
Check Price and Availability of N121-0780, 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 N121-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0780
  • 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 N121-0780 available by request