V030-6070 Screening compound: N~3~-allyl-1-(3,4-difluorobenzyl)-5-phenyl-3-piperidinecarboxamide

V030-6070 Screening compound: N~3~-allyl-1-(3,4-difluorobenzyl)-5-phenyl-3-piperidinecarboxamide
V030-6070 Screening compound: N~3~-allyl-1-(3,4-difluorobenzyl)-5-phenyl-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6070
N~3~-allyl-1-(3,4-difluorobenzyl)-5-phenyl-3-piperidinecarboxamide

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

V030-6070

Molecular Formula

C22H24F2N2O (C22 H24 F2 N2 O)

Compound Name

N~3~-allyl-1-(3,4-difluorobenzyl)-5-phenyl-3-piperidinecarboxamide

IUPAC name

1-[(34-difluorophenyl)methyl]-5-phenyl-N-(prop-2-en-1-yl)piperidine-3-carboxamide

SMILES

C=CCNC(C(C1)CN(Cc(cc2)cc(F)c2F)CC1c1ccccc1)=O

InChI

InChI=1S/C22H24F2N2O/c1-2-10-25-22(27)19-12-18(17-6-4-3-5-7-17)14-26(15-19)13-16-8-9-20(23)21(24)11-16/h2-9,11,18-19H,1,10,12-15H2,(H,25,27)

InChI Key

HNEMPCSVYQAONU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19925054

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

370.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.070

Distribution Coefficient, logD

3.947

Water Solubility, LogSw

-4.18

Polar Surface Area

28.093

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.82

V030-6070 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V030-6070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6070?
Check Price and Availability of V030-6070, 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 V030-6070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6070
  • 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 V030-6070 available by request