S631-1889 Screening compound: 3-phenyl-2-[1-(2-pyrimidinylcarbonyl)-4-piperidyl]-2-azaspiro[3.5]nonan-1-one

S631-1889 Screening compound: 3-phenyl-2-[1-(2-pyrimidinylcarbonyl)-4-piperidyl]-2-azaspiro[3.5]nonan-1-one
S631-1889 Screening compound: 3-phenyl-2-[1-(2-pyrimidinylcarbonyl)-4-piperidyl]-2-azaspiro[3.5]nonan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S631-1889
3-phenyl-2-[1-(2-pyrimidinylcarbonyl)-4-piperidyl]-2-azaspiro[3.5]nonan-1-one

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

S631-1889

Molecular Formula

C24H28N4O2 (C24 H28 N4 O2)

Compound Name

3-phenyl-2-[1-(2-pyrimidinylcarbonyl)-4-piperidyl]-2-azaspiro[3.5]nonan-1-one

IUPAC name

3-phenyl-2-[1-(pyrimidine-2-carbonyl)piperidin-4-yl]-2-azaspiro[3.5]nonan-1-one

SMILES

O=C(c1ncccn1)N(CC1)CCC1N(C(C12CCCCC2)c2ccccc2)C1=O

InChI

InChI=1S/C24H28N4O2/c29-22(21-25-14-7-15-26-21)27-16-10-19(11-17-27)28-20(18-8-3-1-4-9-18)24(23(28)30)12-5-2-6-13-24/h1,3-4,7-9,14-15,19-20H,2,5-6,10-13,16-17H2/t20-/m0/s1

InChI Key

RIGKEYFVNWHZHB-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

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

2.411

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-2.43

Polar Surface Area

51.287

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S631-1889 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S631-1889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S631-1889?
Check Price and Availability of S631-1889, 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 S631-1889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S631-1889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S631-1889
  • 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 S631-1889 available by request