0077-0014 Screening compound: 4-bromophenyl (2E)-3-(4-ethoxyphenyl)prop-2-enoate

0077-0014 Screening compound: 4-bromophenyl (2E)-3-(4-ethoxyphenyl)prop-2-enoate
0077-0014 Screening compound: 4-bromophenyl (2E)-3-(4-ethoxyphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0077-0014
4-bromophenyl (2E)-3-(4-ethoxyphenyl)prop-2-enoate

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

0077-0014

Molecular Formula

C17H15BrO3 (C17 H15 BrO3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(/C=C/C(Oc(cc2)ccc2Br)=O)cc1

InChI

InChI=1S/C17H15BrO3/c1-2-20-15-8-3-13(4-9-15)5-12-17(19)21-16-10-6-14(18)7-11-16/h3-12H,2H2,1H3

InChI Key

WYNRPLDVNIZCBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.101

Distribution Coefficient, logD

5.101

Water Solubility, LogSw

-4.97

Polar Surface Area

27.145

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0077-0014 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0077-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0077-0014?
Check Price and Availability of 0077-0014, 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 0077-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0077-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0077-0014
  • 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 0077-0014 available by request