S752-1125 Screening compound: 1-ethyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-pyrazole-5-carboxamide

S752-1125 Screening compound: 1-ethyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-pyrazole-5-carboxamide
S752-1125 Screening compound: 1-ethyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S752-1125
1-ethyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-pyrazole-5-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

S752-1125

Molecular Formula

C23H34N4O (C23 H34 N4 O)

Compound Name

1-ethyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-pyrazole-5-carboxamide

IUPAC name

1-ethyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]-1H-pyrazole-5-carboxamide

SMILES

CCn1nccc1C(NCCc1ccc(CC(CC2)CCN2C(C)C)cc1)=O

InChI

InChI=1S/C23H34N4O/c1-4-27-22(10-14-25-27)23(28)24-13-9-19-5-7-20(8-6-19)17-21-11-15-26(16-12-21)18(2)3/h5-8,10,14,18,21H,4,9,11-13,15-17H2,1-3H3,(H,24,28)

InChI Key

UHYCOOJMDMBFPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

0.589

Water Solubility, LogSw

-3.24

Polar Surface Area

41.367

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

S752-1125 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S752-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S752-1125?
Check Price and Availability of S752-1125, 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 S752-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S752-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S752-1125
  • 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 S752-1125 available by request