0S62-0011 Screening compound: 2-[(3-NITROPHENYL)METHYLIDENE]PROPANEDINITRILE

0S62-0011 Screening compound: 2-[(3-NITROPHENYL)METHYLIDENE]PROPANEDINITRILE
0S62-0011 Screening compound: 2-[(3-NITROPHENYL)METHYLIDENE]PROPANEDINITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound 0S62-0011
2-[(3-NITROPHENYL)METHYLIDENE]PROPANEDINITRILE

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

0S62-0011

Molecular Formula

C10H5N3O2 (C10 H5 N3 O2)

Compound Name

2-[(3-NITROPHENYL)METHYLIDENE]PROPANEDINITRILE

IUPAC name

n/a

SMILES

N#CC(C#N)=Cc1cccc([N+]([O-])=O)c1

InChI

InChI=1S/C10H5N3O2/c11-6-9(7-12)4-8-2-1-3-10(5-8)13(14)15/h1-5H

InChI Key

UQMJZLGIKHAOQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

199.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.069

Distribution Coefficient, logD

2.069

Water Solubility, LogSw

-2.23

Polar Surface Area

67.732

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0S62-0011 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0S62-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0S62-0011?
Check Price and Availability of 0S62-0011, 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 0S62-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0S62-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0S62-0011
  • 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 0S62-0011 available by request