8005-5625 Screening compound: 1-methyl-4-[(1E)-2-nitroprop-1-en-1-yl]benzene

8005-5625 Screening compound: 1-methyl-4-[(1E)-2-nitroprop-1-en-1-yl]benzene
8005-5625 Screening compound: 1-methyl-4-[(1E)-2-nitroprop-1-en-1-yl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5625
1-methyl-4-[(1E)-2-nitroprop-1-en-1-yl]benzene

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

8005-5625

Molecular Formula

C10H11NO2 (C10 H11 NO2)

Compound Name

1-methyl-4-[(1E)-2-nitroprop-1-en-1-yl]benzene

IUPAC name

1-methyl-4-[(1E)-2-nitroprop-1-en-1-yl]benzene

SMILES

C/C(/[N+]([O-])=O)=C\c1ccc(C)cc1

InChI

InChI=1S/C10H11NO2/c1-8-3-5-10(6-4-8)7-9(2)11(12)13/h3-7H,1-2H3

InChI Key

JEKFDNFWPBWEKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

177.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.24

Polar Surface Area

32.877

Acid Dissociation Constant (pKa)

25.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8005-5625 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-5625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5625?
Check Price and Availability of 8005-5625, 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 8005-5625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5625
  • 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 8005-5625 available by request