8016-9421 Screening compound: 5-(hydroxymethyl)-7'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one

8016-9421 Screening compound: 5-(hydroxymethyl)-7'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
8016-9421 Screening compound: 5-(hydroxymethyl)-7'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9421
5-(hydroxymethyl)-7'-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

8016-9421

Molecular Formula

C13H14N2O6 (C13 H14 N2 O6)

Compound Name

5-(hydroxymethyl)-7'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one

IUPAC name

5-(hydroxymethyl)-7'-methyl-5-nitro-1'2'-dihydrospiro[13-dioxane-23'-indol]-2'-one

SMILES

Cc1cccc(C2(OC3)OCC3(CO)[N+]([O-])=O)c1NC2=O

InChI

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

InChI Key

UZQOJIYHYMJLLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.710

Distribution Coefficient, logD

0.710

Water Solubility, LogSw

-2.25

Polar Surface Area

90.846

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

References: we are preparing a list of scientific research reports with 8016-9421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9421?
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What is the minimum amount of 8016-9421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9421
  • 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 8016-9421 available by request