2279-4476 Screening compound: (2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide

2279-4476 Screening compound: (2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
2279-4476 Screening compound: (2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-4476
(2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide

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

2279-4476

Molecular Formula

C14H9BrN2O2 (C14 H9 BrN2 O2)

Compound Name

(2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide

IUPAC name

(2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide

SMILES

NC(/C(/C#N)=C/c1ccc(-c(cc2)ccc2Br)o1)=O

InChI

InChI=1S/C14H9BrN2O2/c15-11-3-1-9(2-4-11)13-6-5-12(19-13)7-10(8-16)14(17)18/h1-7H,(H2,17,18)/b10-7+

InChI Key

NESIEHUXIJACEI-JXMROGBWSA-N

MDL Number (MFCD)

MFCD01576213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.14

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.295

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.56

Polar Surface Area

58.923

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2279-4476 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2279-4476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-4476?
Check Price and Availability of 2279-4476, 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 2279-4476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-4476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-4476
  • 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 2279-4476 available by request