V003-6976 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[1-(naphthalen-1-yl)-N-[(oxolan-2-yl)methyl]formamido]acetamide

V003-6976 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[1-(naphthalen-1-yl)-N-[(oxolan-2-yl)methyl]formamido]acetamide
V003-6976 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[1-(naphthalen-1-yl)-N-[(oxolan-2-yl)methyl]formamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6976
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[1-(naphthalen-1-yl)-N-[(oxolan-2-yl)methyl]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

V003-6976

Molecular Formula

C32H32N2O6 (C32 H32 N2 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[1-(naphthalen-1-yl)-N-[(oxolan-2-yl)methyl]formamido]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[1-(naphthalen-1-yl)-N-[(oxolan-2-yl)methyl]formamido]acetamide

SMILES

Cc1ccc(CN(Cc(cc2)cc3c2OCO3)C(CN(CC2OCCC2)C(c2cccc3ccccc23)=O)=O)o1

InChI

InChI=1S/C32H32N2O6/c1-22-11-13-26(40-22)19-33(17-23-12-14-29-30(16-23)39-21-38-29)31(35)20-34(18-25-8-5-15-37-25)32(36)28-10-4-7-24-6-2-3-9-27(24)28/h2-4,6-7,9-14,16,25H,5,8,15,17-21H2,1H3/t25-/m1/s1

InChI Key

UGRNRAQWDXXLOG-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19737850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.38

Polar Surface Area

64.623

Acid Dissociation Constant (pKa)

21.92

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

V003-6976 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V003-6976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6976?
Check Price and Availability of V003-6976, 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 V003-6976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6976
  • 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 V003-6976 available by request