S976-1361 Screening compound: 3-{[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}-5-methoxy-1H-indole

S976-1361 Screening compound: 3-{[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}-5-methoxy-1H-indole
S976-1361 Screening compound: 3-{[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}-5-methoxy-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S976-1361
3-{[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}-5-methoxy-1H-indole

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

S976-1361

Molecular Formula

C20H26FN3O2 (C20 H26 FN3 O2)

Compound Name

3-{[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}-5-methoxy-1H-indole

IUPAC name

3-{[3-fluoro-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}-5-methoxy-1H-indole

SMILES

COc(cc1)cc2c1[nH]cc2CN(CCC1)CC1(C(N1CCCC1)=O)F

InChI

InChI=1S/C20H26FN3O2/c1-26-16-5-6-18-17(11-16)15(12-22-18)13-23-8-4-7-20(21,14-23)19(25)24-9-2-3-10-24/h5-6,11-12,22H,2-4,7-10,13-14H2,1H3/t20-/m0/s1

InChI Key

MOUUWERJKBEUNP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32232146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.44

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

2.597

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-2.97

Polar Surface Area

38.333

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S976-1361 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S976-1361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S976-1361?
Check Price and Availability of S976-1361, 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 S976-1361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S976-1361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S976-1361
  • 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 S976-1361 available by request