1731-0434 Screening compound: 3-imino-1-(4-nitrophenyl)butan-1-one

1731-0434 Screening compound: 3-imino-1-(4-nitrophenyl)butan-1-one
1731-0434 Screening compound: 3-imino-1-(4-nitrophenyl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-0434
3-imino-1-(4-nitrophenyl)butan-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

1731-0434

Molecular Formula

C10H10N2O3 (C10 H10 N2 O3)

Compound Name

3-imino-1-(4-nitrophenyl)butan-1-one

IUPAC name

3-imino-1-(4-nitrophenyl)butan-1-one

SMILES

CC(CC(c(cc1)ccc1[N+]([O-])=O)=O)=N

InChI

InChI=1S/C10H10N2O3/c1-7(11)6-10(13)8-2-4-9(5-3-8)12(14)15/h2-5,11H,6H2,1H3

InChI Key

WUFMINDEDUWDAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.352

Distribution Coefficient, logD

1.336

Water Solubility, LogSw

-2.32

Polar Surface Area

63.649

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1731-0434 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 1731-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1731-0434?
Check Price and Availability of 1731-0434, 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 1731-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1731-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1731-0434
  • 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 1731-0434 available by request