1184-1837 Screening compound: 2-[(3-bromo-4-methoxyphenyl)methylidene]propanedinitrile

1184-1837 Screening compound: 2-[(3-bromo-4-methoxyphenyl)methylidene]propanedinitrile
1184-1837 Screening compound: 2-[(3-bromo-4-methoxyphenyl)methylidene]propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1184-1837
2-[(3-bromo-4-methoxyphenyl)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

1184-1837

Molecular Formula

C11H7BrN2O (C11 H7 BrN2 O)

Compound Name

2-[(3-bromo-4-methoxyphenyl)methylidene]propanedinitrile

IUPAC name

2-[(3-bromo-4-methoxyphenyl)methylidene]propanedinitrile

SMILES

COc(ccc(C=C(C#N)C#N)c1)c1Br

InChI

InChI=1S/C11H7BrN2O/c1-15-11-3-2-8(5-10(11)12)4-9(6-13)7-14/h2-5H,1H3

InChI Key

MYCUMQDZUIOCTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00245398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.09

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.615

Distribution Coefficient, logD

2.615

Water Solubility, LogSw

-2.87

Polar Surface Area

41.981

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1184-1837 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1184-1837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1184-1837?
Check Price and Availability of 1184-1837, 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 1184-1837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1184-1837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1184-1837
  • 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 1184-1837 available by request