4671-0156 Screening compound: ethyl 4-[(2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enamido]benzoate

4671-0156 Screening compound: ethyl 4-[(2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enamido]benzoate
4671-0156 Screening compound: ethyl 4-[(2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4671-0156
ethyl 4-[(2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enamido]benzoate

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

4671-0156

Molecular Formula

C19H18BrNO4 (C19 H18 BrNO4)

Compound Name

ethyl 4-[(2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enamido]benzoate

IUPAC name

ethyl 4-[(2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(/C=C/c(cc(cc1)Br)c1OC)=O)=O

InChI

InChI=1S/C19H18BrNO4/c1-3-25-19(23)13-4-8-16(9-5-13)21-18(22)11-6-14-12-15(20)7-10-17(14)24-2/h4-12H,3H2,1-2H3,(H,21,22)

InChI Key

VCEKKVNNSJWCJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01783685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.081

Distribution Coefficient, logD

5.081

Water Solubility, LogSw

-4.96

Polar Surface Area

51.500

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4671-0156 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4671-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4671-0156?
Check Price and Availability of 4671-0156, 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 4671-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4671-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4671-0156
  • 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 4671-0156 available by request