S968-0630 Screening compound: N-{6-cyclopropanecarbonyl-6-azaspiro[2.5]octan-1-yl}benzamide

S968-0630 Screening compound: N-{6-cyclopropanecarbonyl-6-azaspiro[2.5]octan-1-yl}benzamide
S968-0630 Screening compound: N-{6-cyclopropanecarbonyl-6-azaspiro[2.5]octan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0630
N-{6-cyclopropanecarbonyl-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

S968-0630

Molecular Formula

C18H22N2O2 (C18 H22 N2 O2)

Compound Name

N-{6-cyclopropanecarbonyl-6-azaspiro[2.5]octan-1-yl}benzamide

IUPAC name

N-{6-cyclopropanecarbonyl-6-azaspiro[2.5]octan-1-yl}benzamide

SMILES

O=C(C1CC1)N(CC1)CCC1(C1)C1NC(c1ccccc1)=O

InChI

InChI=1S/C18H22N2O2/c21-16(13-4-2-1-3-5-13)19-15-12-18(15)8-10-20(11-9-18)17(22)14-6-7-14/h1-5,14-15H,6-12H2,(H,19,21)/t15-/m0/s1

InChI Key

PQMRNCHRNAJAKR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32231965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.667

Distribution Coefficient, logD

1.667

Water Solubility, LogSw

-2.07

Polar Surface Area

41.998

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S968-0630 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S968-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0630?
Check Price and Availability of S968-0630, 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 S968-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0630
  • 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 S968-0630 available by request