3578-0857 Screening compound: (2E)-3-(4-{3-[(4-methylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl}phenyl)prop-2-enoic acid

3578-0857 Screening compound: (2E)-3-(4-{3-[(4-methylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl}phenyl)prop-2-enoic acid
3578-0857 Screening compound: (2E)-3-(4-{3-[(4-methylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl}phenyl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3578-0857
(2E)-3-(4-{3-[(4-methylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl}phenyl)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

3578-0857

Molecular Formula

C21H19NO4 (C21 H19 NO4)

Compound Name

(2E)-3-(4-{3-[(4-methylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl}phenyl)prop-2-enoic acid

IUPAC name

(2E)-3-(4-{3-[(4-methylphenyl)methyl]-25-dioxopyrrolidin-1-yl}phenyl)prop-2-enoic acid

SMILES

Cc1ccc(CC(CC(N2c3ccc(/C=C/C(O)=O)cc3)=O)C2=O)cc1

InChI

InChI=1S/C21H19NO4/c1-14-2-4-16(5-3-14)12-17-13-19(23)22(21(17)26)18-9-6-15(7-10-18)8-11-20(24)25/h2-11,17H,12-13H2,1H3,(H,24,25)/t17-/m0/s1

InChI Key

XOUZVYPGMSHLKQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02229893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

0.046

Water Solubility, LogSw

-2.92

Polar Surface Area

57.541

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

3578-0857 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3578-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3578-0857?
Check Price and Availability of 3578-0857, 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 3578-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3578-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3578-0857
  • 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 3578-0857 available by request