C798-0008 Screening compound: methyl (2E)-3-[(5-chloro-2-hydroxyphenyl)carbamoyl]prop-2-enoate

C798-0008 Screening compound: methyl (2E)-3-[(5-chloro-2-hydroxyphenyl)carbamoyl]prop-2-enoate
C798-0008 Screening compound: methyl (2E)-3-[(5-chloro-2-hydroxyphenyl)carbamoyl]prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0008
methyl (2E)-3-[(5-chloro-2-hydroxyphenyl)carbamoyl]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

C798-0008

Molecular Formula

C11H10ClNO4 (C11 H10 ClNO4)

Compound Name

methyl (2E)-3-[(5-chloro-2-hydroxyphenyl)carbamoyl]prop-2-enoate

IUPAC name

methyl (2E)-3-[(5-chloro-2-hydroxyphenyl)carbamoyl]prop-2-enoate

SMILES

COC(/C=C/C(Nc(cc(cc1)Cl)c1O)=O)=O

InChI

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

InChI Key

MKZFFWJQFHWPAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798876

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

2.162

Distribution Coefficient, logD

2.124

Water Solubility, LogSw

-2.82

Polar Surface Area

59.817

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C798-0008 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C798-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0008?
Check Price and Availability of C798-0008, 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 C798-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0008
  • 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 C798-0008 available by request