8008-9704 Screening compound: (2E)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide

8008-9704 Screening compound: (2E)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
8008-9704 Screening compound: (2E)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9704
(2E)-3-(4-bromophenyl)-N-(4-chlorophenyl)-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

8008-9704

Molecular Formula

C16H10BrClN2O (C16 H10 BrClN2 O)

Compound Name

(2E)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide

IUPAC name

(2E)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide

SMILES

N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C\c(cc1)ccc1Br

InChI

InChI=1S/C16H10BrClN2O/c17-13-3-1-11(2-4-13)9-12(10-19)16(21)20-15-7-5-14(18)6-8-15/h1-9H,(H,20,21)

InChI Key

OFYSIGMAJVQWCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.977

Distribution Coefficient, logD

4.904

Water Solubility, LogSw

-5.42

Polar Surface Area

40.386

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8008-9704 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8008-9704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9704?
Check Price and Availability of 8008-9704, 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 8008-9704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9704
  • 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 8008-9704 available by request