SB39-0828 Screening compound: 2-methyl-N~1~-[7-oxo-10-(2-quinolylmethyl)-6,10-diazaspiro[4.6]undec-8-yl]propanamide

SB39-0828 Screening compound: 2-methyl-N~1~-[7-oxo-10-(2-quinolylmethyl)-6,10-diazaspiro[4.6]undec-8-yl]propanamide
SB39-0828 Screening compound: 2-methyl-N~1~-[7-oxo-10-(2-quinolylmethyl)-6,10-diazaspiro[4.6]undec-8-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB39-0828
2-methyl-N~1~-[7-oxo-10-(2-quinolylmethyl)-6,10-diazaspiro[4.6]undec-8-yl]propanamide

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

SB39-0828

Molecular Formula

C23H30N4O2 (C23 H30 N4 O2)

Compound Name

2-methyl-N~1~-[7-oxo-10-(2-quinolylmethyl)-6,10-diazaspiro[4.6]undec-8-yl]propanamide

IUPAC name

2-methyl-N-{7-oxo-10-[(quinolin-2-yl)methyl]-610-diazaspiro[4.6]undecan-8-yl}propanamide

SMILES

CC(C)C(NC(CN(Cc1nc2ccccc2cc1)CC1(CCCC1)N1)C1=O)=O

InChI

InChI=1S/C23H30N4O2/c1-16(2)21(28)25-20-14-27(15-23(26-22(20)29)11-5-6-12-23)13-18-10-9-17-7-3-4-8-19(17)24-18/h3-4,7-10,16,20H,5-6,11-15H2,1-2H3,(H,25,28)(H,26,29)/t20-/m0/s1

InChI Key

NRHIGFLDALDENU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32247508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.438

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-3.04

Polar Surface Area

63.487

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

SB39-0828 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB39-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB39-0828?
Check Price and Availability of SB39-0828, 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 SB39-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB39-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB39-0828
  • 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 SB39-0828 available by request