S569-0553 Screening compound: 3-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide

S569-0553 Screening compound: 3-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide
S569-0553 Screening compound: 3-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S569-0553
3-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide

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

S569-0553

Molecular Formula

C16H22N6O (C16 H22 N6 O)

Compound Name

3-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide

IUPAC name

3-(1-methyl-1H-1234-tetrazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide

SMILES

Cn1nnnc1C(CCC1)CN1C(NCCc1ccccc1)=O

InChI

InChI=1S/C16H22N6O/c1-21-15(18-19-20-21)14-8-5-11-22(12-14)16(23)17-10-9-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,23)/t14-/m0/s1

InChI Key

KEYCULINEOPBGS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31961247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.326

Distribution Coefficient, logD

1.326

Water Solubility, LogSw

-1.77

Polar Surface Area

66.295

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S569-0553 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S569-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S569-0553?
Check Price and Availability of S569-0553, 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 S569-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S569-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S569-0553
  • 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 S569-0553 available by request