V004-4516 Screening compound: (2E)-N-({[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)-N-[3-(morpholin-4-yl)propyl]-3-phenylprop-2-enamide

V004-4516 Screening compound: (2E)-N-({[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)-N-[3-(morpholin-4-yl)propyl]-3-phenylprop-2-enamide
V004-4516 Screening compound: (2E)-N-({[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)-N-[3-(morpholin-4-yl)propyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4516
(2E)-N-({[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)-N-[3-(morpholin-4-yl)propyl]-3-phenylprop-2-enamide

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

V004-4516

Molecular Formula

C31H35N3O6 (C31 H35 N3 O6)

Compound Name

(2E)-N-({[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)-N-[3-(morpholin-4-yl)propyl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-({[(2H-13-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)-N-[3-(morpholin-4-yl)propyl]-3-phenylprop-2-enamide

SMILES

O=C(CN(CCCN1CCOCC1)C(/C=C/c1ccccc1)=O)N(Cc1ccco1)Cc(cc1)cc2c1OCO2

InChI

InChI=1S/C31H35N3O6/c35-30(12-10-25-6-2-1-3-7-25)33(14-5-13-32-15-18-37-19-16-32)23-31(36)34(22-27-8-4-17-38-27)21-26-9-11-28-29(20-26)40-24-39-28/h1-4,6-12,17,20H,5,13-16,18-19,21-24H2

InChI Key

FTATXHSMFFOYFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19740708

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.338

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-3.47

Polar Surface Area

68.068

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

V004-4516 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-4516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4516?
Check Price and Availability of V004-4516, 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 V004-4516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4516
  • 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 V004-4516 available by request