V004-2804 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-(prop-2-en-1-yl)formamido]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide

V004-2804 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-(prop-2-en-1-yl)formamido]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
V004-2804 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-(prop-2-en-1-yl)formamido]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2804
2-[1-(2H-1,3-benzodioxol-5-yl)-N-(prop-2-en-1-yl)formamido]-N-benzyl-N-[(5-methylfuran-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

V004-2804

Molecular Formula

C26H26N2O5 (C26 H26 N2 O5)

Compound Name

2-[1-(2H-1,3-benzodioxol-5-yl)-N-(prop-2-en-1-yl)formamido]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide

IUPAC name

2-[1-(2H-13-benzodioxol-5-yl)-N-(prop-2-en-1-yl)formamido]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide

SMILES

Cc1ccc(CN(Cc2ccccc2)C(CN(CC=C)C(c(cc2)cc3c2OCO3)=O)=O)o1

InChI

InChI=1S/C26H26N2O5/c1-3-13-27(26(30)21-10-12-23-24(14-21)32-18-31-23)17-25(29)28(15-20-7-5-4-6-8-20)16-22-11-9-19(2)33-22/h3-12,14H,1,13,15-18H2,2H3

InChI Key

YTXYXKCRTZAPLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19743835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.650

Water Solubility, LogSw

-3.87

Polar Surface Area

56.490

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V004-2804 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V004-2804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2804?
Check Price and Availability of V004-2804, 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 V004-2804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2804
  • 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 V004-2804 available by request