S722-0451 Screening compound: 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine

S722-0451 Screening compound: 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine
S722-0451 Screening compound: 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0451
1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine

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

S722-0451

Molecular Formula

C23H32N4O (C23 H32 N4 O)

Compound Name

1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine

IUPAC name

1-(13-dimethyl-1H-pyrazole-5-carbonyl)-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine

SMILES

Cc1nn(C)c(C(N2CCC(Cc3ccc(CN4CCCC4)cc3)CC2)=O)c1

InChI

InChI=1S/C23H32N4O/c1-18-15-22(25(2)24-18)23(28)27-13-9-20(10-14-27)16-19-5-7-21(8-6-19)17-26-11-3-4-12-26/h5-8,15,20H,3-4,9-14,16-17H2,1-2H3

InChI Key

IFFAIEBAHABSNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

0.178

Water Solubility, LogSw

-2.88

Polar Surface Area

34.036

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

10.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

S722-0451 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S722-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0451?
Check Price and Availability of S722-0451, 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 S722-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0451
  • 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 S722-0451 available by request