1683-6986 Screening compound: (2E)-N-(4-bromophenyl)-3-phenylprop-2-enamide

1683-6986 Screening compound: (2E)-N-(4-bromophenyl)-3-phenylprop-2-enamide
1683-6986 Screening compound: (2E)-N-(4-bromophenyl)-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6986
(2E)-N-(4-bromophenyl)-3-phenylprop-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

1683-6986

Molecular Formula

C15H12BrNO (C15 H12 BrNO)

Compound Name

(2E)-N-(4-bromophenyl)-3-phenylprop-2-enamide

IUPAC name

(2E)-N-(4-bromophenyl)-3-phenylprop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)Nc(cc1)ccc1Br

InChI

InChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)

InChI Key

CPHIJOVRKMUDKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00444456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.17

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.536

Water Solubility, LogSw

-4.50

Polar Surface Area

23.116

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1683-6986 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1683-6986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6986?
Check Price and Availability of 1683-6986, 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 1683-6986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6986
  • 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 1683-6986 available by request