K784-3100 Screening compound: (2E)-3-[(3-chloro-4-methoxyphenyl)carbamoyl]prop-2-enoic acid

K784-3100 Screening compound: (2E)-3-[(3-chloro-4-methoxyphenyl)carbamoyl]prop-2-enoic acid
K784-3100 Screening compound: (2E)-3-[(3-chloro-4-methoxyphenyl)carbamoyl]prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-3100
(2E)-3-[(3-chloro-4-methoxyphenyl)carbamoyl]prop-2-enoic acid

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

K784-3100

Molecular Formula

C11H10ClNO4 (C11 H10 ClNO4)

Compound Name

(2E)-3-[(3-chloro-4-methoxyphenyl)carbamoyl]prop-2-enoic acid

IUPAC name

(2E)-3-[(3-chloro-4-methoxyphenyl)carbamoyl]prop-2-enoic acid

SMILES

COc(ccc(NC(/C=C/C(O)=O)=O)c1)c1Cl

InChI

InChI=1S/C11H10ClNO4/c1-17-9-3-2-7(6-8(9)12)13-10(14)4-5-11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)

InChI Key

IFWBZZWBCFRCLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05879142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

-2.414

Water Solubility, LogSw

-2.73

Polar Surface Area

59.402

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K784-3100 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-3100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-3100?
Check Price and Availability of K784-3100, 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 K784-3100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-3100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-3100
  • 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 K784-3100 available by request