SB39-0827 Screening compound: N~1~-[10-(3-furylcarbonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-2-methylpropanamide

SB39-0827 Screening compound: N~1~-[10-(3-furylcarbonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-2-methylpropanamide
SB39-0827 Screening compound: N~1~-[10-(3-furylcarbonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB39-0827
N~1~-[10-(3-furylcarbonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-2-methylpropanamide

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

SB39-0827

Molecular Formula

C18H25N3O4 (C18 H25 N3 O4)

Compound Name

N~1~-[10-(3-furylcarbonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-2-methylpropanamide

IUPAC name

N-[10-(furan-3-carbonyl)-7-oxo-610-diazaspiro[4.6]undecan-8-yl]-2-methylpropanamide

SMILES

CC(C)C(NC(CN(CC1(CCCC1)N1)C(c2cocc2)=O)C1=O)=O

InChI

InChI=1S/C18H25N3O4/c1-12(2)15(22)19-14-9-21(17(24)13-5-8-25-10-13)11-18(20-16(14)23)6-3-4-7-18/h5,8,10,12,14H,3-4,6-7,9,11H2,1-2H3,(H,19,22)(H,20,23)/t14-/m0/s1

InChI Key

UQXVAIRAVYRJOP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32247507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.795

Distribution Coefficient, logD

0.795

Water Solubility, LogSw

-2.02

Polar Surface Area

75.380

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SB39-0827 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 SB39-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB39-0827?
Check Price and Availability of SB39-0827, 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 SB39-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB39-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB39-0827
  • 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 SB39-0827 available by request