S722-0782 Screening compound: 5-{[4-({4-[(morpholin-4-yl)methyl]phenyl}methyl)piperidin-1-yl]methyl}-1H-indole

S722-0782 Screening compound: 5-{[4-({4-[(morpholin-4-yl)methyl]phenyl}methyl)piperidin-1-yl]methyl}-1H-indole
S722-0782 Screening compound: 5-{[4-({4-[(morpholin-4-yl)methyl]phenyl}methyl)piperidin-1-yl]methyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0782
5-{[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

S722-0782

Molecular Formula

C26H33N3O (C26 H33 N3 O)

Compound Name

5-{[4-({4-[(morpholin-4-yl)methyl]phenyl}methyl)piperidin-1-yl]methyl}-1H-indole

IUPAC name

5-{[4-({4-[(morpholin-4-yl)methyl]phenyl}methyl)piperidin-1-yl]methyl}-1H-indole

SMILES

C(C1CCN(Cc(cc2)cc3c2[nH]cc3)CC1)c1ccc(CN2CCOCC2)cc1

InChI

InChI=1S/C26H33N3O/c1-3-23(19-29-13-15-30-16-14-29)4-2-21(1)17-22-8-11-28(12-9-22)20-24-5-6-26-25(18-24)7-10-27-26/h1-7,10,18,22,27H,8-9,11-17,19-20H2

InChI Key

HDQHOABYFIVLHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.104

Distribution Coefficient, logD

3.420

Water Solubility, LogSw

-4.20

Polar Surface Area

25.122

Acid Dissociation Constant (pKa)

18.61

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

S722-0782 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S722-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0782?
Check Price and Availability of S722-0782, 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 S722-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0782
  • 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 S722-0782 available by request