S631-1878 Screening compound: 2-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-4-piperidyl}-3-phenyl-2-azaspiro[3.5]nonan-1-one

S631-1878 Screening compound: 2-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-4-piperidyl}-3-phenyl-2-azaspiro[3.5]nonan-1-one
S631-1878 Screening compound: 2-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-4-piperidyl}-3-phenyl-2-azaspiro[3.5]nonan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S631-1878
2-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-4-piperidyl}-3-phenyl-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

S631-1878

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

2-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-4-piperidyl}-3-phenyl-2-azaspiro[3.5]nonan-1-one

IUPAC name

2-[1-(13-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.5]nonan-1-one

SMILES

Cc1nn(C)cc1C(N(CC1)CCC1N(C(C12CCCCC2)c2ccccc2)C1=O)=O

InChI

InChI=1S/C25H32N4O2/c1-18-21(17-27(2)26-18)23(30)28-15-11-20(12-16-28)29-22(19-9-5-3-6-10-19)25(24(29)31)13-7-4-8-14-25/h3,5-6,9-10,17,20,22H,4,7-8,11-16H2,1-2H3/t22-/m0/s1

InChI Key

GZYWPPICIBYITC-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.11

Polar Surface Area

47.014

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

References: we are preparing a list of scientific research reports with S631-1878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S631-1878?
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What is the minimum amount of S631-1878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S631-1878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S631-1878
  • 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 S631-1878 available by request