8016-6660 Screening compound: ethyl 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate

8016-6660 Screening compound: ethyl 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate
8016-6660 Screening compound: ethyl 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6660
ethyl 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate

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

8016-6660

Molecular Formula

C23H27N3O5 (C23 H27 N3 O5)

Compound Name

ethyl 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)=O

InChI

InChI=1S/C23H27N3O5/c1-2-29-23(28)18-4-6-19(7-5-18)24-22(27)15-26-11-9-25(10-12-26)14-17-3-8-20-21(13-17)31-16-30-20/h3-8,13H,2,9-12,14-16H2,1H3,(H,24,27)

InChI Key

XRYSFICYLRQLEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02748686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-3.54

Polar Surface Area

68.530

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

8016-6660 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 8016-6660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6660?
Check Price and Availability of 8016-6660, 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 8016-6660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6660
  • 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 8016-6660 available by request