4092-0464 Screening compound: 4-{[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol

4092-0464 Screening compound: 4-{[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol
4092-0464 Screening compound: 4-{[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0464
4-{[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol

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

4092-0464

Molecular Formula

C22H28N2O6 (C22 H28 N2 O6)

Compound Name

4-{[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol

IUPAC name

4-{[4-(23-dimethoxybenzoyl)piperazin-1-yl]methyl}-26-dimethoxyphenol

SMILES

COc1cccc(C(N2CCN(Cc(cc3OC)cc(OC)c3O)CC2)=O)c1OC

InChI

InChI=1S/C22H28N2O6/c1-27-17-7-5-6-16(21(17)30-4)22(26)24-10-8-23(9-11-24)14-15-12-18(28-2)20(25)19(13-15)29-3/h5-7,12-13,25H,8-11,14H2,1-4H3

InChI Key

ZQFGPOKFIAHAOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02374709

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

416.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.370

Distribution Coefficient, logD

0.153

Water Solubility, LogSw

-2.25

Polar Surface Area

66.515

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

4092-0464 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 4092-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0464?
Check Price and Availability of 4092-0464, 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 4092-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0464
  • 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 4092-0464 available by request