S968-0747 Screening compound: N-{6-[3-(1H-indol-3-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}pyridine-4-carboxamide

S968-0747 Screening compound: N-{6-[3-(1H-indol-3-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}pyridine-4-carboxamide
S968-0747 Screening compound: N-{6-[3-(1H-indol-3-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0747
N-{6-[3-(1H-indol-3-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}pyridine-4-carboxamide

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

S968-0747

Molecular Formula

C24H26N4O2 (C24 H26 N4 O2)

Compound Name

N-{6-[3-(1H-indol-3-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}pyridine-4-carboxamide

IUPAC name

N-{6-[3-(1H-indol-3-yl)propanoyl]-6-azaspiro[2.5]octan-1-yl}pyridine-4-carboxamide

SMILES

O=C(CCc1c[nH]c2c1cccc2)N(CC1)CCC1(C1)C1NC(c1ccncc1)=O

InChI

InChI=1S/C24H26N4O2/c29-22(6-5-18-16-26-20-4-2-1-3-19(18)20)28-13-9-24(10-14-28)15-21(24)27-23(30)17-7-11-25-12-8-17/h1-4,7-8,11-12,16,21,26H,5-6,9-10,13-15H2,(H,27,30)/t21-/m0/s1

InChI Key

JHVBDAVKOMZGEC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32231430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.724

Distribution Coefficient, logD

1.724

Water Solubility, LogSw

-1.73

Polar Surface Area

60.247

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S968-0747 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S968-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0747?
Check Price and Availability of S968-0747, 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 S968-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0747
  • 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 S968-0747 available by request