SB80-0479 Screening compound: 7-benzyl-N-(2-methoxyethyl)-15-oxo-7,11,14-triazaspiro[5.10]hexadecane-11-carboxamide

SB80-0479 Screening compound: 7-benzyl-N-(2-methoxyethyl)-15-oxo-7,11,14-triazaspiro[5.10]hexadecane-11-carboxamide
SB80-0479 Screening compound: 7-benzyl-N-(2-methoxyethyl)-15-oxo-7,11,14-triazaspiro[5.10]hexadecane-11-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB80-0479
7-benzyl-N-(2-methoxyethyl)-15-oxo-7,11,14-triazaspiro[5.10]hexadecane-11-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

SB80-0479

Molecular Formula

C24H38N4O3 (C24 H38 N4 O3)

Compound Name

7-benzyl-N-(2-methoxyethyl)-15-oxo-7,11,14-triazaspiro[5.10]hexadecane-11-carboxamide

IUPAC name

7-benzyl-N-(2-methoxyethyl)-15-oxo-71114-triazaspiro[5.10]hexadecane-11-carboxamide

SMILES

COCCNC(N(CCCN(Cc1ccccc1)C1(CCCCC1)C1)CCNC1=O)=O

InChI

InChI=1S/C24H38N4O3/c1-31-18-14-26-23(30)27-15-8-16-28(20-21-9-4-2-5-10-21)24(11-6-3-7-12-24)19-22(29)25-13-17-27/h2,4-5,9-10H,3,6-8,11-20H2,1H3,(H,25,29)(H,26,30)

InChI Key

WTXWKWWGYCQJAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32250666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

1.809

Water Solubility, LogSw

-2.63

Polar Surface Area

63.947

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

SB80-0479 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with SB80-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB80-0479?
Check Price and Availability of SB80-0479, 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 SB80-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB80-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB80-0479
  • 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 SB80-0479 available by request