V004-3619 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

V004-3619 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
V004-3619 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3619
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

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

V004-3619

Molecular Formula

C28H26N4O5 (C28 H26 N4 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

SMILES

Cc1c(C(N(CC2)CCN2c(nccc2)c2C(NCc(cc2)cc3c2OCO3)=O)=O)oc2c1cccc2

InChI

InChI=1S/C28H26N4O5/c1-18-20-5-2-3-7-22(20)37-25(18)28(34)32-13-11-31(12-14-32)26-21(6-4-10-29-26)27(33)30-16-19-8-9-23-24(15-19)36-17-35-23/h2-10,15H,11-14,16-17H2,1H3,(H,30,33)

InChI Key

PMASWWMMVSNZFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946215

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.473

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.17

Polar Surface Area

79.183

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V004-3619 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-3619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3619?
Check Price and Availability of V004-3619, 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 V004-3619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3619
  • 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 V004-3619 available by request