V011-0228 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(4-nitrobenzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

V011-0228 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(4-nitrobenzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
V011-0228 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(4-nitrobenzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0228
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(4-nitrobenzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]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

V011-0228

Molecular Formula

C29H29N5O8S (C29 H29 N5 O8 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(4-nitrobenzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[8-(4-nitrobenzenesulfonyl)-4-oxo-1-phenyl-138-triazaspiro[4.5]decan-3-yl]acetamide

SMILES

[O-][N+](c(cc1)ccc1S(N(CC1)CCC1(C(N(CC(NCc(cc1)cc2c1OCO2)=O)C1)=O)N1c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C29H29N5O8S/c35-27(30-17-21-6-11-25-26(16-21)42-20-41-25)18-31-19-33(22-4-2-1-3-5-22)29(28(31)36)12-14-32(15-13-29)43(39,40)24-9-7-23(8-10-24)34(37)38/h1-11,16H,12-15,17-20H2,(H,30,35)

InChI Key

BJGGOTWLOLDZDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19728674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

607.64

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-4.08

Polar Surface Area

126.935

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V011-0228 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V011-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0228?
Check Price and Availability of V011-0228, 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 V011-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0228
  • 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 V011-0228 available by request