V002-8586 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)-1-(3-nitrophenyl)formamido]-N-[(furan-2-yl)methyl]acetamide

V002-8586 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)-1-(3-nitrophenyl)formamido]-N-[(furan-2-yl)methyl]acetamide
V002-8586 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)-1-(3-nitrophenyl)formamido]-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8586
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)-1-(3-nitrophenyl)formamido]-N-[(furan-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

V002-8586

Molecular Formula

C27H29N3O8 (C27 H29 N3 O8)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)-1-(3-nitrophenyl)formamido]-N-[(furan-2-yl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)-1-(3-nitrophenyl)formamido]-N-[(furan-2-yl)methyl]acetamide

SMILES

CCOCCCN(CC(N(Cc1ccco1)Cc(cc1)cc2c1OCO2)=O)C(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C27H29N3O8/c1-2-35-12-5-11-28(27(32)21-6-3-7-22(15-21)30(33)34)18-26(31)29(17-23-8-4-13-36-23)16-20-9-10-24-25(14-20)38-19-37-24/h3-4,6-10,13-15H,2,5,11-12,16-19H2,1H3

InChI Key

WVYUNUJQSXBEGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19736776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.205

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-3.28

Polar Surface Area

98.335

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with V002-8586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8586?
Check Price and Availability of V002-8586, 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 V002-8586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8586
  • 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 V002-8586 available by request