S968-0686 Screening compound: N-{6-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}benzamide

S968-0686 Screening compound: N-{6-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}benzamide
S968-0686 Screening compound: N-{6-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0686
N-{6-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}benzamide

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

S968-0686

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

N-{6-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}benzamide

IUPAC name

N-{6-[3-(35-dimethyl-1H-pyrazol-1-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}benzamide

SMILES

Cc1cc(C)nn1CCC(N(CC1)CCC1(C1)C1NC(c1ccccc1)=O)=O

InChI

InChI=1S/C22H28N4O2/c1-16-14-17(2)26(24-16)11-8-20(27)25-12-9-22(10-13-25)15-19(22)23-21(28)18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3,(H,23,28)/t19-/m0/s1

InChI Key

CLNOYVPPJUTACI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32231132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.822

Distribution Coefficient, logD

0.822

Water Solubility, LogSw

-1.96

Polar Surface Area

54.933

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S968-0686 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S968-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0686?
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What is the minimum amount of S968-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0686
  • 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 S968-0686 available by request