0572-0003 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-4-(2-phenylpropan-2-yl)phenol

0572-0003 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-4-(2-phenylpropan-2-yl)phenol
0572-0003 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-4-(2-phenylpropan-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0572-0003
2-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-4-(2-phenylpropan-2-yl)phenol

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

0572-0003

Molecular Formula

C27H32N2O3S (C27 H32 N2 O3 S)

Compound Name

2-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-4-(2-phenylpropan-2-yl)phenol

IUPAC name

2-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-4-(2-phenylpropan-2-yl)phenol

SMILES

CC(C)(c1ccccc1)c(cc1)cc(CN(CC2)CCN2S(c2ccc(C)cc2)(=O)=O)c1O

InChI

InChI=1S/C27H32N2O3S/c1-21-9-12-25(13-10-21)33(31,32)29-17-15-28(16-18-29)20-22-19-24(11-14-26(22)30)27(2,3)23-7-5-4-6-8-23/h4-14,19,30H,15-18,20H2,1-3H3

InChI Key

ODUAPSDPEWKONL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00749167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.198

Distribution Coefficient, logD

5.089

Water Solubility, LogSw

-4.84

Polar Surface Area

51.766

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0572-0003 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0572-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0572-0003?
Check Price and Availability of 0572-0003, 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 0572-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0572-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0572-0003
  • 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 0572-0003 available by request