V017-7126 Screening compound: N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N1-benzyl-5-phenylpiperidine-1,3-dicarboxamide

V017-7126 Screening compound: N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N1-benzyl-5-phenylpiperidine-1,3-dicarboxamide
V017-7126 Screening compound: N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N1-benzyl-5-phenylpiperidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-7126
N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N1-benzyl-5-phenylpiperidine-1,3-dicarboxamide

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

V017-7126

Molecular Formula

C28H29N3O4 (C28 H29 N3 O4)

Compound Name

N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N1-benzyl-5-phenylpiperidine-1,3-dicarboxamide

IUPAC name

N3-[(2H-13-benzodioxol-5-yl)methyl]-N1-benzyl-5-phenylpiperidine-13-dicarboxamide

SMILES

O=C(C(CC(C1)c2ccccc2)CN1C(NCc1ccccc1)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H29N3O4/c32-27(29-16-21-11-12-25-26(13-21)35-19-34-25)24-14-23(22-9-5-2-6-10-22)17-31(18-24)28(33)30-15-20-7-3-1-4-8-20/h1-13,23-24H,14-19H2,(H,29,32)(H,30,33)

InChI Key

CGBAFRTXCQETNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19924873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.24

Polar Surface Area

68.154

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

V017-7126 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V017-7126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-7126?
Check Price and Availability of V017-7126, 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 V017-7126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-7126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-7126
  • 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 V017-7126 available by request