SB58-0397 Screening compound: N-{[2-(2-ethylbutanoyl)-6-methyl-2,6-diazaspiro[3.4]oct-8-yl]methyl}benzamide

SB58-0397 Screening compound: N-{[2-(2-ethylbutanoyl)-6-methyl-2,6-diazaspiro[3.4]oct-8-yl]methyl}benzamide
SB58-0397 Screening compound: N-{[2-(2-ethylbutanoyl)-6-methyl-2,6-diazaspiro[3.4]oct-8-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB58-0397
N-{[2-(2-ethylbutanoyl)-6-methyl-2,6-diazaspiro[3.4]oct-8-yl]methyl}benzamide

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

SB58-0397

Molecular Formula

C21H31N3O2 (C21 H31 N3 O2)

Compound Name

N-{[2-(2-ethylbutanoyl)-6-methyl-2,6-diazaspiro[3.4]oct-8-yl]methyl}benzamide

IUPAC name

N-{[2-(2-ethylbutanoyl)-6-methyl-26-diazaspiro[3.4]octan-8-yl]methyl}benzamide

SMILES

CCC(CC)C(N(C1)CC11C(CNC(c2ccccc2)=O)CN(C)C1)=O

InChI

InChI=1S/C21H31N3O2/c1-4-16(5-2)20(26)24-14-21(15-24)13-23(3)12-18(21)11-22-19(25)17-9-7-6-8-10-17/h6-10,16,18H,4-5,11-15H2,1-3H3,(H,22,25)/t18-/m0/s1

InChI Key

POONGUXEHQWMQC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32248610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

-3.951

Water Solubility, LogSw

-2.66

Polar Surface Area

45.400

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

13.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SB58-0397 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SB58-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB58-0397?
Check Price and Availability of SB58-0397, 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 SB58-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB58-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB58-0397
  • 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 SB58-0397 available by request