8011-5652 Screening compound: 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one

8011-5652 Screening compound: 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
8011-5652 Screening compound: 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5652
5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one

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

8011-5652

Molecular Formula

C13H14N2O6 (C13 H14 N2 O6)

Compound Name

5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one

IUPAC name

5-(hydroxymethyl)-1'-methyl-5-nitro-1'2'-dihydrospiro[13-dioxane-23'-indol]-2'-one

SMILES

CN(C(C1(OC2)OCC2(CO)[N+]([O-])=O)=O)c2c1cccc2

InChI

InChI=1S/C13H14N2O6/c1-14-10-5-3-2-4-9(10)13(11(14)17)20-7-12(6-16,8-21-13)15(18)19/h2-5,16H,6-8H2,1H3

InChI Key

FTDHIAMPZIODPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02815142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.514

Distribution Coefficient, logD

0.514

Water Solubility, LogSw

-2.12

Polar Surface Area

83.360

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

8011-5652 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-5652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5652?
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What is the minimum amount of 8011-5652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5652
  • 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 8011-5652 available by request