C798-0004 Screening compound: (2E)-3-[(2-hydroxy-5-methylphenyl)carbamoyl]prop-2-enoic acid

C798-0004 Screening compound: (2E)-3-[(2-hydroxy-5-methylphenyl)carbamoyl]prop-2-enoic acid
C798-0004 Screening compound: (2E)-3-[(2-hydroxy-5-methylphenyl)carbamoyl]prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0004
(2E)-3-[(2-hydroxy-5-methylphenyl)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

C798-0004

Molecular Formula

C11H11NO4 (C11 H11 NO4)

Compound Name

(2E)-3-[(2-hydroxy-5-methylphenyl)carbamoyl]prop-2-enoic acid

IUPAC name

(2E)-3-[(2-hydroxy-5-methylphenyl)carbamoyl]prop-2-enoic acid

SMILES

Cc(cc1)cc(NC(/C=C/C(O)=O)=O)c1O

InChI

InChI=1S/C11H11NO4/c1-7-2-3-9(13)8(6-7)12-10(14)4-5-11(15)16/h2-6,13H,1H3,(H,12,14)(H,15,16)

InChI Key

RSJIKWWWSZKTRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00029802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.473

Distribution Coefficient, logD

-2.985

Water Solubility, LogSw

-1.93

Polar Surface Area

67.622

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C798-0004 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C798-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0004?
Check Price and Availability of C798-0004, 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 C798-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0004
  • 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 C798-0004 available by request