SB80-0491 Screening compound: 11-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-propyl-7,11,14-triazaspiro[5.10]hexadecan-15-one

SB80-0491 Screening compound: 11-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-propyl-7,11,14-triazaspiro[5.10]hexadecan-15-one
SB80-0491 Screening compound: 11-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-propyl-7,11,14-triazaspiro[5.10]hexadecan-15-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB80-0491
11-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-propyl-7,11,14-triazaspiro[5.10]hexadecan-15-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

SB80-0491

Molecular Formula

C22H39N5O (C22 H39 N5 O)

Compound Name

11-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-propyl-7,11,14-triazaspiro[5.10]hexadecan-15-one

IUPAC name

11-[(13-dimethyl-1H-pyrazol-4-yl)methyl]-7-propyl-71114-triazaspiro[5.10]hexadecan-15-one

SMILES

CCCN(CCCN(Cc1cn(C)nc1C)CCN1)C2(CCCCC2)CC1=O

InChI

InChI=1S/C22H39N5O/c1-4-12-27-14-8-13-26(18-20-17-25(3)24-19(20)2)15-11-23-21(28)16-22(27)9-6-5-7-10-22/h17H,4-16,18H2,1-3H3,(H,23,28)

InChI Key

QJHSXDURBBQZJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32250738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.887

Distribution Coefficient, logD

-1.432

Water Solubility, LogSw

-2.17

Polar Surface Area

47.845

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

10.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.82

SB80-0491 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 SB80-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB80-0491?
Check Price and Availability of SB80-0491, 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 SB80-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB80-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB80-0491
  • 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 SB80-0491 available by request