1910-7029 Screening compound: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]propanedinitrile

1910-7029 Screening compound: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]propanedinitrile
1910-7029 Screening compound: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1910-7029
2-[(4,5-dimethoxy-2-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

1910-7029

Molecular Formula

C12H9N3O4 (C12 H9 N3 O4)

Compound Name

2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]propanedinitrile

IUPAC name

2-[(45-dimethoxy-2-nitrophenyl)methylidene]propanedinitrile

SMILES

COc(c(OC)c1)cc(C=C(C#N)C#N)c1[N+]([O-])=O

InChI

InChI=1S/C12H9N3O4/c1-18-11-4-9(3-8(6-13)7-14)10(15(16)17)5-12(11)19-2/h3-5H,1-2H3

InChI Key

CRUAGMDXCXBKPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00551310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.520

Distribution Coefficient, logD

1.520

Water Solubility, LogSw

-1.79

Polar Surface Area

82.692

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1910-7029 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 1910-7029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1910-7029?
Check Price and Availability of 1910-7029, 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 1910-7029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1910-7029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1910-7029
  • 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 1910-7029 available by request