SA45-1298 Screening compound: [2-methyl-9-(3-methylbenzoyl)-2,9-diazaspiro[5.5]undec-1-yl](1-pyrrolidinyl)methanone

SA45-1298 Screening compound: [2-methyl-9-(3-methylbenzoyl)-2,9-diazaspiro[5.5]undec-1-yl](1-pyrrolidinyl)methanone
SA45-1298 Screening compound: [2-methyl-9-(3-methylbenzoyl)-2,9-diazaspiro[5.5]undec-1-yl](1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA45-1298
[2-methyl-9-(3-methylbenzoyl)-2,9-diazaspiro[5.5]undec-1-yl](1-pyrrolidinyl)methanone

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

SA45-1298

Molecular Formula

C23H33N3O2 (C23 H33 N3 O2)

Compound Name

[2-methyl-9-(3-methylbenzoyl)-2,9-diazaspiro[5.5]undec-1-yl](1-pyrrolidinyl)methanone

IUPAC name

2-methyl-9-(3-methylbenzoyl)-1-(pyrrolidine-1-carbonyl)-29-diazaspiro[5.5]undecane

SMILES

Cc1cccc(C(N(CC2)CCC22C(C(N3CCCC3)=O)N(C)CCC2)=O)c1

InChI

InChI=1S/C23H33N3O2/c1-18-7-5-8-19(17-18)21(27)26-15-10-23(11-16-26)9-6-12-24(2)20(23)22(28)25-13-3-4-14-25/h5,7-8,17,20H,3-4,6,9-16H2,1-2H3/t20-/m1/s1

InChI Key

DCDQODAPAVIIBT-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32237546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.729

Distribution Coefficient, logD

0.240

Water Solubility, LogSw

-2.01

Polar Surface Area

37.032

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

SA45-1298 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA45-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA45-1298?
Check Price and Availability of SA45-1298, 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 SA45-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA45-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA45-1298
  • 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 SA45-1298 available by request