1184-1828 Screening compound: 2-[(2,4,5-trimethoxyphenyl)methylidene]propanedinitrile

1184-1828 Screening compound: 2-[(2,4,5-trimethoxyphenyl)methylidene]propanedinitrile
1184-1828 Screening compound: 2-[(2,4,5-trimethoxyphenyl)methylidene]propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1184-1828
2-[(2,4,5-trimethoxyphenyl)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

1184-1828

Molecular Formula

C13H12N2O3 (C13 H12 N2 O3)

Compound Name

2-[(2,4,5-trimethoxyphenyl)methylidene]propanedinitrile

IUPAC name

2-[(245-trimethoxyphenyl)methylidene]propanedinitrile

SMILES

COc(c(C=C(C#N)C#N)c1)cc(OC)c1OC

InChI

InChI=1S/C13H12N2O3/c1-16-11-6-13(18-3)12(17-2)5-10(11)4-9(7-14)8-15/h4-6H,1-3H3

InChI Key

FKXBJORZHOGQRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00810340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

1.591

Water Solubility, LogSw

-1.53

Polar Surface Area

57.242

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 1184-1828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1184-1828?
Check Price and Availability of 1184-1828, 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 1184-1828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1184-1828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1184-1828
  • 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 1184-1828 available by request