Y030-5346 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-tert-butylbenzoyl)piperazine

Y030-5346 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-tert-butylbenzoyl)piperazine
Y030-5346 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-tert-butylbenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5346
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-tert-butylbenzoyl)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

Y030-5346

Molecular Formula

C23H28N2O3 (C23 H28 N2 O3)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-tert-butylbenzoyl)piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(4-tert-butylbenzoyl)piperazine

SMILES

CC(C)(C)c(cc1)ccc1C(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O

InChI

InChI=1S/C23H28N2O3/c1-23(2,3)19-7-5-18(6-8-19)22(26)25-12-10-24(11-13-25)15-17-4-9-20-21(14-17)28-16-27-20/h4-9,14H,10-13,15-16H2,1-3H3

InChI Key

BSRDPBGRRBTFIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02862138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.17

Polar Surface Area

37.543

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

Y030-5346 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y030-5346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5346?
Check Price and Availability of Y030-5346, 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 Y030-5346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5346
  • 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 Y030-5346 available by request