Y031-6078 Screening compound: 1-benzyl-4-[2-(propane-1-sulfonyl)benzoyl]piperazine

Y031-6078 Screening compound: 1-benzyl-4-[2-(propane-1-sulfonyl)benzoyl]piperazine
Y031-6078 Screening compound: 1-benzyl-4-[2-(propane-1-sulfonyl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6078
1-benzyl-4-[2-(propane-1-sulfonyl)benzoyl]piperazine

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

Y031-6078

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

1-benzyl-4-[2-(propane-1-sulfonyl)benzoyl]piperazine

IUPAC name

1-benzyl-4-[2-(propane-1-sulfonyl)benzoyl]piperazine

SMILES

CCCS(c(cccc1)c1C(N1CCN(Cc2ccccc2)CC1)=O)(=O)=O

InChI

InChI=1S/C21H26N2O3S/c1-2-16-27(25,26)20-11-7-6-10-19(20)21(24)23-14-12-22(13-15-23)17-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3

InChI Key

BMWGXLKMAUQFOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09458806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.581

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-3.08

Polar Surface Area

49.463

Acid Dissociation Constant (pKa)

21.59

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

Y031-6078 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y031-6078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6078?
Check Price and Availability of Y031-6078, 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 Y031-6078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6078
  • 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 Y031-6078 available by request