SA45-0045 Screening compound: N9-benzyl-2-methyl-2,9-diazaspiro[5.5]undecane-1,9-dicarboxamide

SA45-0045 Screening compound: N9-benzyl-2-methyl-2,9-diazaspiro[5.5]undecane-1,9-dicarboxamide
SA45-0045 Screening compound: N9-benzyl-2-methyl-2,9-diazaspiro[5.5]undecane-1,9-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA45-0045
N9-benzyl-2-methyl-2,9-diazaspiro[5.5]undecane-1,9-dicarboxamide

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

SA45-0045

Molecular Formula

C19H28N4O2 (C19 H28 N4 O2)

Compound Name

N9-benzyl-2-methyl-2,9-diazaspiro[5.5]undecane-1,9-dicarboxamide

IUPAC name

N9-benzyl-2-methyl-29-diazaspiro[5.5]undecane-19-dicarboxamide

SMILES

CN(CCCC1(CC2)CCN2C(NCc2ccccc2)=O)C1C(N)=O

InChI

InChI=1S/C19H28N4O2/c1-22-11-5-8-19(16(22)17(20)24)9-12-23(13-10-19)18(25)21-14-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H2,20,24)(H,21,25)/t16-/m1/s1

InChI Key

KNJPDDPEBABSGM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32237434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.155

Distribution Coefficient, logD

-0.647

Water Solubility, LogSw

-1.53

Polar Surface Area

64.220

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SA45-0045 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA45-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA45-0045?
Check Price and Availability of SA45-0045, 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 SA45-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA45-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA45-0045
  • 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 SA45-0045 available by request