SA45-0844 Screening compound: 9-(isoquinoline-1-carbonyl)-2-methyl-1-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecane

SA45-0844 Screening compound: 9-(isoquinoline-1-carbonyl)-2-methyl-1-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecane
SA45-0844 Screening compound: 9-(isoquinoline-1-carbonyl)-2-methyl-1-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA45-0844
9-(isoquinoline-1-carbonyl)-2-methyl-1-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecane

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

SA45-0844

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

9-(isoquinoline-1-carbonyl)-2-methyl-1-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecane

IUPAC name

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

SMILES

CN(CCCC1(CC2)CCN2C(c2nccc3ccccc23)=O)C1C(N1CCCC1)=O

InChI

InChI=1S/C25H32N4O2/c1-27-14-6-10-25(22(27)24(31)28-15-4-5-16-28)11-17-29(18-12-25)23(30)21-20-8-3-2-7-19(20)9-13-26-21/h2-3,7-9,13,22H,4-6,10-12,14-18H2,1H3/t22-/m1/s1

InChI Key

AMYUKOZCZQOJPS-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD32236846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.744

Distribution Coefficient, logD

0.255

Water Solubility, LogSw

-2.21

Polar Surface Area

46.579

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

SA45-0844 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA45-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA45-0844?
Check Price and Availability of SA45-0844, 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 SA45-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA45-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA45-0844
  • 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 SA45-0844 available by request