V004-7206 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-methylphenyl)-N-(prop-2-en-1-yl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V004-7206 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-methylphenyl)-N-(prop-2-en-1-yl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V004-7206 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-methylphenyl)-N-(prop-2-en-1-yl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7206
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-methylphenyl)-N-(prop-2-en-1-yl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

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

V004-7206

Molecular Formula

C27H28N2O4S (C27 H28 N2 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-methylphenyl)-N-(prop-2-en-1-yl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[1-(4-methylphenyl)-N-(prop-2-en-1-yl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

Cc1c(CN(Cc(cc2)cc3c2OCO3)C(CN(CC=C)C(c2ccc(C)cc2)=O)=O)scc1

InChI

InChI=1S/C27H28N2O4S/c1-4-12-28(27(31)22-8-5-19(2)6-9-22)17-26(30)29(16-25-20(3)11-13-34-25)15-21-7-10-23-24(14-21)33-18-32-23/h4-11,13-14H,1,12,15-18H2,2-3H3

InChI Key

FNPAEABAAQQPBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19763141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.49

Polar Surface Area

50.245

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V004-7206 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V004-7206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7206?
Check Price and Availability of V004-7206, 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 V004-7206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7206
  • 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 V004-7206 available by request