V021-9108 Screening compound: N-allyl-3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}benzamide

V021-9108 Screening compound: N-allyl-3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}benzamide
V021-9108 Screening compound: N-allyl-3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9108
N-allyl-3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}benzamide

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

V021-9108

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

N-allyl-3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}benzamide

IUPAC name

3-({4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N-(prop-2-en-1-yl)benzamide

SMILES

C=CCNC(c1cc(CN2CCN(Cc(cc3)cc4c3OCO4)CC2)ccc1)=O

InChI

InChI=1S/C23H27N3O3/c1-2-8-24-23(27)20-5-3-4-18(13-20)15-25-9-11-26(12-10-25)16-19-6-7-21-22(14-19)29-17-28-21/h2-7,13-14H,1,8-12,15-17H2,(H,24,27)

InChI Key

JLZXTFHDPQIYBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19914171

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.155

Distribution Coefficient, logD

1.184

Water Solubility, LogSw

-2.75

Polar Surface Area

49.153

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

V021-9108 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V021-9108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9108?
Check Price and Availability of V021-9108, 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 V021-9108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9108
  • 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 V021-9108 available by request