V020-9836 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-ethylacetamide

V020-9836 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-ethylacetamide
V020-9836 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-9836
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-ethylacetamide

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

V020-9836

Molecular Formula

C16H23N3O3 (C16 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCNC(CN1CCN(Cc(cc2)cc3c2OCO3)CC1)=O

InChI

InChI=1S/C16H23N3O3/c1-2-17-16(20)11-19-7-5-18(6-8-19)10-13-3-4-14-15(9-13)22-12-21-14/h3-4,9H,2,5-8,10-12H2,1H3,(H,17,20)

InChI Key

XFWIGSAQAAXSES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19914755

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

305.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.079

Distribution Coefficient, logD

0.247

Water Solubility, LogSw

-2.31

Polar Surface Area

48.996

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

V020-9836 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 V020-9836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-9836?
Check Price and Availability of V020-9836, 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 V020-9836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-9836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-9836
  • 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 V020-9836 available by request