0242-0492 Screening compound: 13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine

0242-0492 Screening compound: 13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine
0242-0492 Screening compound: 13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0492
13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine

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

0242-0492

Molecular Formula

C12H16N2O6 (C12 H16 N2 O6)

Compound Name

13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine

IUPAC name

13-nitro-235689-hexahydro-14710-benzotetraoxacyclododecin-12-amine

SMILES

Nc(cc1OCCOCCOCCOc1c1)c1[N+]([O-])=O

InChI

InChI=1S/C12H16N2O6/c13-9-7-11-12(8-10(9)14(15)16)20-6-4-18-2-1-17-3-5-19-11/h7-8H,1-6,13H2

InChI Key

ILQPHLPWMLXAEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00429250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.316

Distribution Coefficient, logD

0.316

Water Solubility, LogSw

-1.32

Polar Surface Area

85.386

Acid Dissociation Constant (pKa)

17.25

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

0242-0492 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0242-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0492?
Check Price and Availability of 0242-0492, 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 0242-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0492
  • 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 0242-0492 available by request