0781-2638 Screening compound: 2-methyl-1-nitro-9,10-dihydroanthracene-9,10-dione

0781-2638 Screening compound: 2-methyl-1-nitro-9,10-dihydroanthracene-9,10-dione
0781-2638 Screening compound: 2-methyl-1-nitro-9,10-dihydroanthracene-9,10-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2638
2-methyl-1-nitro-9,10-dihydroanthracene-9,10-dione

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

0781-2638

Molecular Formula

C15H9NO4 (C15 H9 NO4)

Compound Name

2-methyl-1-nitro-9,10-dihydroanthracene-9,10-dione

IUPAC name

2-methyl-1-nitro-910-dihydroanthracene-910-dione

SMILES

Cc(c([N+]([O-])=O)c1C(c2c3cccc2)=O)ccc1C3=O

InChI

InChI=1S/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3

InChI Key

FYXKXZFTZBYYNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00019142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.66

Polar Surface Area

58.960

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

0781-2638 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 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 0781-2638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2638?
Check Price and Availability of 0781-2638, 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 0781-2638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2638
  • 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 0781-2638 available by request