S623-1101 Screening compound: N-ethyl-N-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-1-methylpiperidin-4-amine

S623-1101 Screening compound: N-ethyl-N-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-1-methylpiperidin-4-amine
S623-1101 Screening compound: N-ethyl-N-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-1-methylpiperidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S623-1101
N-ethyl-N-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-1-methylpiperidin-4-amine

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

S623-1101

Molecular Formula

C17H29N5O (C17 H29 N5 O)

Compound Name

N-ethyl-N-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-1-methylpiperidin-4-amine

IUPAC name

N-ethyl-N-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-1-methylpiperidin-4-amine

SMILES

CCN(C(C1)CN1C(c1nn(CC)cc1)=O)C1CCN(C)CC1

InChI

InChI=1S/C17H29N5O/c1-4-21-11-8-16(18-21)17(23)20-12-15(13-20)22(5-2)14-6-9-19(3)10-7-14/h8,11,14-15H,4-7,9-10,12-13H2,1-3H3

InChI Key

YXCGQBOPSRYFAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31974421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.582

Distribution Coefficient, logD

-1.078

Water Solubility, LogSw

-1.36

Polar Surface Area

36.572

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.47

S623-1101 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S623-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S623-1101?
Check Price and Availability of S623-1101, 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 S623-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S623-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S623-1101
  • 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 S623-1101 available by request