S651-1275 Screening compound: 2-methyl-N-(2-pyridylmethyl)-8-(1-pyrrolidinylcarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

S651-1275 Screening compound: 2-methyl-N-(2-pyridylmethyl)-8-(1-pyrrolidinylcarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
S651-1275 Screening compound: 2-methyl-N-(2-pyridylmethyl)-8-(1-pyrrolidinylcarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S651-1275
2-methyl-N-(2-pyridylmethyl)-8-(1-pyrrolidinylcarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

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

S651-1275

Molecular Formula

C21H31N5O2 (C21 H31 N5 O2)

Compound Name

2-methyl-N-(2-pyridylmethyl)-8-(1-pyrrolidinylcarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

2-methyl-N-[(pyridin-2-yl)methyl]-8-(pyrrolidine-1-carbonyl)-28-diazaspiro[4.5]decane-3-carboxamide

SMILES

CN(CC(C1)(CC2)CCN2C(N2CCCC2)=O)C1C(NCc1ncccc1)=O

InChI

InChI=1S/C21H31N5O2/c1-24-16-21(7-12-26(13-8-21)20(28)25-10-4-5-11-25)14-18(24)19(27)23-15-17-6-2-3-9-22-17/h2-3,6,9,18H,4-5,7-8,10-16H2,1H3,(H,23,27)/t18-/m1/s1

InChI Key

JHKFPSRUEKHUCX-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31953673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.798

Distribution Coefficient, logD

0.713

Water Solubility, LogSw

-1.76

Polar Surface Area

56.622

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S651-1275 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S651-1275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S651-1275?
Check Price and Availability of S651-1275, 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 S651-1275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S651-1275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S651-1275
  • 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 S651-1275 available by request