V014-8708 Screening compound: 3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-N~1~-ethylbenzamide

V014-8708 Screening compound: 3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-N~1~-ethylbenzamide
V014-8708 Screening compound: 3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-N~1~-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8708
3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-N~1~-ethylbenzamide

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

V014-8708

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

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

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-2-23-22(26)19-5-3-4-17(12-19)14-24-8-10-25(11-9-24)15-18-6-7-20-21(13-18)28-16-27-20/h3-7,12-13H,2,8-11,14-16H2,1H3,(H,23,26)

InChI Key

SOGMQMTWYWFUAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19914167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.965

Distribution Coefficient, logD

0.994

Water Solubility, LogSw

-2.53

Polar Surface Area

48.938

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

V014-8708 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 V014-8708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8708?
Check Price and Availability of V014-8708, 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 V014-8708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8708
  • 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 V014-8708 available by request