V003-6661 Screening compound: N-benzyl-N-[(furan-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-chloro-3-nitrobenzenesulfonamido}acetamide

V003-6661 Screening compound: N-benzyl-N-[(furan-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-chloro-3-nitrobenzenesulfonamido}acetamide
V003-6661 Screening compound: N-benzyl-N-[(furan-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-chloro-3-nitrobenzenesulfonamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6661
N-benzyl-N-[(furan-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-chloro-3-nitrobenzenesulfonamido}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

V003-6661

Molecular Formula

C25H26ClN3O7S (C25 H26 ClN3 O7 S)

Compound Name

N-benzyl-N-[(furan-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-chloro-3-nitrobenzenesulfonamido}acetamide

IUPAC name

N-benzyl-N-[(furan-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-chloro-3-nitrobenzenesulfonamido}acetamide

SMILES

[O-][N+](c(cc(cc1)S(N(CC2OCCC2)CC(N(Cc2ccco2)Cc2ccccc2)=O)(=O)=O)c1Cl)=O

InChI

InChI=1S/C25H26ClN3O7S/c26-23-11-10-22(14-24(23)29(31)32)37(33,34)28(17-21-9-5-13-36-21)18-25(30)27(16-20-8-4-12-35-20)15-19-6-2-1-3-7-19/h1-4,6-8,10-12,14,21H,5,9,13,15-18H2/t21-/m1/s1

InChI Key

SPCACPPJBXOONP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19737589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.02

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-4.04

Polar Surface Area

96.510

Acid Dissociation Constant (pKa)

21.86

Base Dissociation Constant (pKb)

-4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

V003-6661 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-6661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6661?
Check Price and Availability of V003-6661, 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 V003-6661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6661
  • 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 V003-6661 available by request