8003-0583 Screening compound: 2-formylphenyl (E)-3-(4-bromophenyl)-2-propenoate

8003-0583 Screening compound: 2-formylphenyl (E)-3-(4-bromophenyl)-2-propenoate
8003-0583 Screening compound: 2-formylphenyl (E)-3-(4-bromophenyl)-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0583
2-formylphenyl (E)-3-(4-bromophenyl)-2-propenoate

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

8003-0583

Molecular Formula

C16H11BrO3 (C16 H11 BrO3)

Compound Name

2-formylphenyl (E)-3-(4-bromophenyl)-2-propenoate

IUPAC name

2-formylphenyl (2E)-3-(4-bromophenyl)prop-2-enoate

SMILES

O=Cc(cccc1)c1OC(/C=C/c(cc1)ccc1Br)=O

InChI

InChI=1S/C16H11BrO3/c17-14-8-5-12(6-9-14)7-10-16(19)20-15-4-2-1-3-13(15)11-18/h1-11H

InChI Key

FXOYMAAUQXEEFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00470584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-4.46

Polar Surface Area

34.267

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-0583 in Drug Discovery

Included in Screening Libraries

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 8003-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0583?
Check Price and Availability of 8003-0583, 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 8003-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0583
  • 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 8003-0583 available by request