S722-0660 Screening compound: 4-[4-({4-[(morpholin-4-yl)methyl]phenyl}methyl)piperidine-1-carbonyl]-1H-indole

S722-0660 Screening compound: 4-[4-({4-[(morpholin-4-yl)methyl]phenyl}methyl)piperidine-1-carbonyl]-1H-indole
S722-0660 Screening compound: 4-[4-({4-[(morpholin-4-yl)methyl]phenyl}methyl)piperidine-1-carbonyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0660
4-[4-({4-[(morpholin-4-yl)methyl]phenyl}methyl)piperidine-1-carbonyl]-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

S722-0660

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

4-[4-({4-[(morpholin-4-yl)methyl]phenyl}methyl)piperidine-1-carbonyl]-1H-indole

IUPAC name

4-[4-({4-[(morpholin-4-yl)methyl]phenyl}methyl)piperidine-1-carbonyl]-1H-indole

SMILES

O=C(c1c(cc[nH]2)c2ccc1)N1CCC(Cc2ccc(CN3CCOCC3)cc2)CC1

InChI

InChI=1S/C26H31N3O2/c30-26(24-2-1-3-25-23(24)8-11-27-25)29-12-9-21(10-13-29)18-20-4-6-22(7-5-20)19-28-14-16-31-17-15-28/h1-8,11,21,27H,9-10,12-19H2

InChI Key

PMGOSNAYYSRKTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31977578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.357

Water Solubility, LogSw

-3.67

Polar Surface Area

38.037

Acid Dissociation Constant (pKa)

17.81

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.31

S722-0660 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S722-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0660?
Check Price and Availability of S722-0660, 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 S722-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0660
  • 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 S722-0660 available by request