S722-0601 Screening compound: 1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine

S722-0601 Screening compound: 1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine
S722-0601 Screening compound: 1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0601
1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-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

S722-0601

Molecular Formula

C23H34N4 (C23 H34 N4)

Compound Name

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

IUPAC name

1-[(15-dimethyl-1H-pyrazol-4-yl)methyl]-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine

SMILES

Cc1c(CN2CCC(Cc3ccc(CN4CCCC4)cc3)CC2)cnn1C

InChI

InChI=1S/C23H34N4/c1-19-23(16-24-25(19)2)18-27-13-9-21(10-14-27)15-20-5-7-22(8-6-20)17-26-11-3-4-12-26/h5-8,16,21H,3-4,9-15,17-18H2,1-2H3

InChI Key

GAKFJOATOKVIPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.231

Distribution Coefficient, logD

-1.557

Water Solubility, LogSw

-2.95

Polar Surface Area

22.284

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

12.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.87

S722-0601 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S722-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0601?
Check Price and Availability of S722-0601, 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 S722-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0601
  • 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 S722-0601 available by request