S722-0808 Screening compound: 5-METHOXY-1-METHYL-3-{[4-({4-[(MORPHOLIN-4-YL)METHYL]PHENYL}METHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOLE

S722-0808 Screening compound: 5-METHOXY-1-METHYL-3-{[4-({4-[(MORPHOLIN-4-YL)METHYL]PHENYL}METHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOLE
S722-0808 Screening compound: 5-METHOXY-1-METHYL-3-{[4-({4-[(MORPHOLIN-4-YL)METHYL]PHENYL}METHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0808
5-METHOXY-1-METHYL-3-{[4-({4-[(MORPHOLIN-4-YL)METHYL]PHENYL}METHYL)PIPERIDIN-1-YL]METHYL}-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

S722-0808

Molecular Formula

C28H37N3O2 (C28 H37 N3 O2)

Compound Name

5-METHOXY-1-METHYL-3-{[4-({4-[(MORPHOLIN-4-YL)METHYL]PHENYL}METHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOLE

IUPAC name

n/a

SMILES

Cn1c(ccc(OC)c2)c2c(CN2CCC(Cc3ccc(CN4CCOCC4)cc3)CC2)c1

InChI

InChI=1S/C28H37N3O2/c1-29-20-25(27-18-26(32-2)7-8-28(27)29)21-30-11-9-23(10-12-30)17-22-3-5-24(6-4-22)19-31-13-15-33-16-14-31/h3-8,18,20,23H,9-17,19,21H2,1-2H3

InChI Key

SUCNPOFNJHHFRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31964973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

1.131

Water Solubility, LogSw

-4.23

Polar Surface Area

25.444

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

10.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S722-0808 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 Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S722-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0808?
Check Price and Availability of S722-0808, 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 S722-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0808
  • 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 S722-0808 available by request