4393-0077 Screening compound: 6-{3-hydroxy-2-oxo-5-phenyl-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid

4393-0077 Screening compound: 6-{3-hydroxy-2-oxo-5-phenyl-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid
4393-0077 Screening compound: 6-{3-hydroxy-2-oxo-5-phenyl-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0077
6-{3-hydroxy-2-oxo-5-phenyl-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}hexanoic 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

4393-0077

Molecular Formula

C25H25NO5 (C25 H25 NO5)

Compound Name

6-{3-hydroxy-2-oxo-5-phenyl-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid

IUPAC name

6-{3-hydroxy-2-oxo-5-phenyl-4-[(2E)-3-phenylprop-2-enoyl]-25-dihydro-1H-pyrrol-1-yl}hexanoic acid

SMILES

OC(CCCCCN(C(C(C(/C=C/c1ccccc1)=O)=C1O)c2ccccc2)C1=O)=O

InChI

InChI=1S/C25H25NO5/c27-20(16-15-18-10-4-1-5-11-18)22-23(19-12-6-2-7-13-19)26(25(31)24(22)30)17-9-3-8-14-21(28)29/h1-2,4-7,10-13,15-16,23,30H,3,8-9,14,17H2,(H,28,29)/t23-/m0/s1

InChI Key

PVLLDEDDKKSLRF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02107862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

0.533

Water Solubility, LogSw

-3.36

Polar Surface Area

72.969

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

4393-0077 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

MCL1 Targeted Library (12200 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:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4393-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0077?
Check Price and Availability of 4393-0077, 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 4393-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0077
  • 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 4393-0077 available by request