1225-0498 Screening compound: 2-methyl-6-[(3-nitrophenyl)amino]oxane-3,4,5-triol

1225-0498 Screening compound: 2-methyl-6-[(3-nitrophenyl)amino]oxane-3,4,5-triol
1225-0498 Screening compound: 2-methyl-6-[(3-nitrophenyl)amino]oxane-3,4,5-triol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1225-0498
2-methyl-6-[(3-nitrophenyl)amino]oxane-3,4,5-triol

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

1225-0498

Molecular Formula

C12H16N2O6 (C12 H16 N2 O6)

Compound Name

2-methyl-6-[(3-nitrophenyl)amino]oxane-3,4,5-triol

IUPAC name

n/a

SMILES

CC(C(C(C1O)O)O)OC1Nc1cccc([N+]([O-])=O)c1

InChI

InChI=1S/C12H16N2O6/c1-6-9(15)10(16)11(17)12(20-6)13-7-3-2-4-8(5-7)14(18)19/h2-6,9-13,15-17H,1H3

InChI Key

BDCSZHDDKFSAHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01001021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.584

Distribution Coefficient, logD

0.584

Water Solubility, LogSw

-1.92

Polar Surface Area

98.993

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 1225-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1225-0498?
Check Price and Availability of 1225-0498, 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 1225-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1225-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1225-0498
  • 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 1225-0498 available by request