S596-0357 Screening compound: (3R,5S)-5-[(4-PHENYLPIPERAZIN-1-YL)CARBONYL]-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]PYRROLIDIN-3-OL

S596-0357 Screening compound: (3R,5S)-5-[(4-PHENYLPIPERAZIN-1-YL)CARBONYL]-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]PYRROLIDIN-3-OL
S596-0357 Screening compound: (3R,5S)-5-[(4-PHENYLPIPERAZIN-1-YL)CARBONYL]-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]PYRROLIDIN-3-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound S596-0357
(3R,5S)-5-[(4-PHENYLPIPERAZIN-1-YL)CARBONYL]-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]PYRROLIDIN-3-OL

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

S596-0357

Molecular Formula

C25H38N4O3 (C25 H38 N4 O3)

Compound Name

(3R,5S)-5-[(4-PHENYLPIPERAZIN-1-YL)CARBONYL]-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]PYRROLIDIN-3-OL

IUPAC name

n/a

SMILES

O[C@H](C[C@H]1C(N(CC2)CCN2c2ccccc2)=O)CN1C(CC1)CCN1C1CCOCC1

InChI

InChI=1S/C25H38N4O3/c30-23-18-24(25(31)28-14-12-27(13-15-28)20-4-2-1-3-5-20)29(19-23)22-6-10-26(11-7-22)21-8-16-32-17-9-21/h1-5,21-24,30H,6-19H2/t23-,24-/m0/s1

InChI Key

OKTRVSWRFVOFLG-ZEQRLZLVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.706

Distribution Coefficient, logD

-0.021

Water Solubility, LogSw

-1.90

Polar Surface Area

50.150

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.00

References: we are preparing a list of scientific research reports with S596-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S596-0357?
Check Price and Availability of S596-0357, 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 S596-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S596-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S596-0357
  • 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 S596-0357 available by request