S968-0676 Screening compound: N-[6-(1-methyl-1H-pyrrole-2-carbonyl)-6-azaspiro[2.5]octan-1-yl]benzamide

S968-0676 Screening compound: N-[6-(1-methyl-1H-pyrrole-2-carbonyl)-6-azaspiro[2.5]octan-1-yl]benzamide
S968-0676 Screening compound: N-[6-(1-methyl-1H-pyrrole-2-carbonyl)-6-azaspiro[2.5]octan-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0676
N-[6-(1-methyl-1H-pyrrole-2-carbonyl)-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

S968-0676

Molecular Formula

C20H23N3O2 (C20 H23 N3 O2)

Compound Name

N-[6-(1-methyl-1H-pyrrole-2-carbonyl)-6-azaspiro[2.5]octan-1-yl]benzamide

IUPAC name

N-[6-(1-methyl-1H-pyrrole-2-carbonyl)-6-azaspiro[2.5]octan-1-yl]benzamide

SMILES

Cn1c(C(N(CC2)CCC2(C2)C2NC(c2ccccc2)=O)=O)ccc1

InChI

InChI=1S/C20H23N3O2/c1-22-11-5-8-16(22)19(25)23-12-9-20(10-13-23)14-17(20)21-18(24)15-6-3-2-4-7-15/h2-8,11,17H,9-10,12-14H2,1H3,(H,21,24)/t17-/m0/s1

InChI Key

NXFWPYWDJQCNHU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32231060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-2.55

Polar Surface Area

43.892

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S968-0676 in Drug Discovery

Included in Screening Libraries

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

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 S968-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0676?
Check Price and Availability of S968-0676, 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 S968-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0676
  • 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 S968-0676 available by request