V030-7685 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-chromen-3-yl)methyl]-2-[1-(naphthalen-1-yl)-N-(prop-2-en-1-yl)formamido]acetamide

V030-7685 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-chromen-3-yl)methyl]-2-[1-(naphthalen-1-yl)-N-(prop-2-en-1-yl)formamido]acetamide
V030-7685 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-chromen-3-yl)methyl]-2-[1-(naphthalen-1-yl)-N-(prop-2-en-1-yl)formamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7685
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-chromen-3-yl)methyl]-2-[1-(naphthalen-1-yl)-N-(prop-2-en-1-yl)formamido]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

V030-7685

Molecular Formula

C34H27ClN2O6 (C34 H27 ClN2 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-chromen-3-yl)methyl]-2-[1-(naphthalen-1-yl)-N-(prop-2-en-1-yl)formamido]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-chromen-3-yl)methyl]-2-[1-(naphthalen-1-yl)-N-(prop-2-en-1-yl)formamido]acetamide

SMILES

C=CCN(CC(N(Cc(cc1)cc2c1OCO2)CC1=COc(ccc(Cl)c2)c2C1=O)=O)C(c1cccc2ccccc12)=O

InChI

InChI=1S/C34H27ClN2O6/c1-2-14-36(34(40)27-9-5-7-23-6-3-4-8-26(23)27)19-32(38)37(17-22-10-12-30-31(15-22)43-21-42-30)18-24-20-41-29-13-11-25(35)16-28(29)33(24)39/h2-13,15-16,20H,1,14,17-19,21H2

InChI Key

IDHFTQNFFXFQGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19770348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.05

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.364

Distribution Coefficient, logD

5.364

Water Solubility, LogSw

-6.26

Polar Surface Area

69.849

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.71

V030-7685 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V030-7685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7685?
Check Price and Availability of V030-7685, 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 V030-7685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7685
  • 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 V030-7685 available by request