C202-4093 Screening compound: (2Z)-3-[(1-carboxy-2-phenylethyl)carbamoyl]prop-2-enoic acid

C202-4093 Screening compound: (2Z)-3-[(1-carboxy-2-phenylethyl)carbamoyl]prop-2-enoic acid
C202-4093 Screening compound: (2Z)-3-[(1-carboxy-2-phenylethyl)carbamoyl]prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-4093
(2Z)-3-[(1-carboxy-2-phenylethyl)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

C202-4093

Molecular Formula

C13H13NO5 (C13 H13 NO5)

Compound Name

(2Z)-3-[(1-carboxy-2-phenylethyl)carbamoyl]prop-2-enoic acid

IUPAC name

(2Z)-3-[(1-carboxy-2-phenylethyl)carbamoyl]prop-2-enoic acid

SMILES

OC(C(Cc1ccccc1)NC(/C=C\C(O)=O)=O)=O

InChI

InChI=1S/C13H13NO5/c15-11(6-7-12(16)17)14-10(13(18)19)8-9-4-2-1-3-5-9/h1-7,10H,8H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m0/s1

InChI Key

OQGKOQBYSJCHHV-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00411651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.134

Distribution Coefficient, logD

-4.179

Water Solubility, LogSw

-1.50

Polar Surface Area

81.132

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

C202-4093 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Integrin Receptors Targeted library (1715 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C202-4093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-4093?
Check Price and Availability of C202-4093, 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 C202-4093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-4093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-4093
  • 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 C202-4093 available by request