S617-0332 Screening compound: [3-(dimethylamino)-1-(1H-indole-2-carbonyl)piperidin-4-yl]methanol

S617-0332 Screening compound: [3-(dimethylamino)-1-(1H-indole-2-carbonyl)piperidin-4-yl]methanol
S617-0332 Screening compound: [3-(dimethylamino)-1-(1H-indole-2-carbonyl)piperidin-4-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S617-0332
[3-(dimethylamino)-1-(1H-indole-2-carbonyl)piperidin-4-yl]methanol

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

S617-0332

Molecular Formula

C17H23N3O2 (C17 H23 N3 O2)

Compound Name

[3-(dimethylamino)-1-(1H-indole-2-carbonyl)piperidin-4-yl]methanol

IUPAC name

[(3S4S)-3-(dimethylamino)-1-(1H-indole-2-carbonyl)piperidin-4-yl]methanol

SMILES

CN(C)[C@@H](C1)[C@H](CO)CCN1C(c1cc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C17H23N3O2/c1-19(2)16-10-20(8-7-13(16)11-21)17(22)15-9-12-5-3-4-6-14(12)18-15/h3-6,9,13,16,18,21H,7-8,10-11H2,1-2H3/t13-,16+/m1/s1

InChI Key

FRHRXSSNBXWBAE-CJNGLKHVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.722

Distribution Coefficient, logD

0.435

Water Solubility, LogSw

-2.58

Polar Surface Area

45.195

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

8.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

S617-0332 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S617-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S617-0332?
Check Price and Availability of S617-0332, 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 S617-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S617-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S617-0332
  • 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 S617-0332 available by request