1252-1469 Screening compound: 1-(2-hydroxy-5-methyl-3-nitrophenyl)ethan-1-one

1252-1469 Screening compound: 1-(2-hydroxy-5-methyl-3-nitrophenyl)ethan-1-one
1252-1469 Screening compound: 1-(2-hydroxy-5-methyl-3-nitrophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1252-1469
1-(2-hydroxy-5-methyl-3-nitrophenyl)ethan-1-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

1252-1469

Molecular Formula

C9H9NO4 (C9 H9 NO4)

Compound Name

1-(2-hydroxy-5-methyl-3-nitrophenyl)ethan-1-one

IUPAC name

1-(2-hydroxy-5-methyl-3-nitrophenyl)ethan-1-one

SMILES

CC(c1cc(C)cc([N+]([O-])=O)c1O)=O

InChI

InChI=1S/C9H9NO4/c1-5-3-7(6(2)11)9(12)8(4-5)10(13)14/h3-4,12H,1-2H3

InChI Key

XSHQMMIEZHWNAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00192216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.17

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

1.229

Water Solubility, LogSw

-2.11

Polar Surface Area

62.625

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1252-1469 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1252-1469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1252-1469?
Check Price and Availability of 1252-1469, 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 1252-1469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1252-1469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1252-1469
  • 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 1252-1469 available by request