V020-9868 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N,N-diethylacetamide

V020-9868 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N,N-diethylacetamide
V020-9868 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-9868
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N,N-diethylacetamide

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

V020-9868

Molecular Formula

C18H27N3O3 (C18 H27 N3 O3)

Compound Name

2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N,N-diethylacetamide

IUPAC name

2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-NN-diethylacetamide

SMILES

CCN(CC)C(CN1CCN(Cc(cc2)cc3c2OCO3)CC1)=O

InChI

InChI=1S/C18H27N3O3/c1-3-21(4-2)18(22)13-20-9-7-19(8-10-20)12-15-5-6-16-17(11-15)24-14-23-16/h5-6,11H,3-4,7-10,12-14H2,1-2H3

InChI Key

YKZSIQGGYFIBOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03115340

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.248

Distribution Coefficient, logD

0.417

Water Solubility, LogSw

-2.06

Polar Surface Area

40.303

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

V020-9868 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 V020-9868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-9868?
Check Price and Availability of V020-9868, 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 V020-9868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-9868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-9868
  • 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 V020-9868 available by request