8009-4895 Screening compound: 4-{[3-(ethoxycarbonyl)-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid

8009-4895 Screening compound: 4-{[3-(ethoxycarbonyl)-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid
8009-4895 Screening compound: 4-{[3-(ethoxycarbonyl)-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4895
4-{[3-(ethoxycarbonyl)-4-phenyl-2-thienyl]amino}-4-oxobutanoic 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

8009-4895

Molecular Formula

C17H17NO5S (C17 H17 NO5 S)

Compound Name

4-{[3-(ethoxycarbonyl)-4-phenyl-2-thienyl]amino}-4-oxobutanoic acid

IUPAC name

3-{[3-(ethoxycarbonyl)-4-phenylthiophen-2-yl]carbamoyl}propanoic acid

SMILES

CCOC(c1c(NC(CCC(O)=O)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C17H17NO5S/c1-2-23-17(22)15-12(11-6-4-3-5-7-11)10-24-16(15)18-13(19)8-9-14(20)21/h3-7,10H,2,8-9H2,1H3,(H,18,19)(H,20,21)

InChI Key

XZGANOSLDDHUSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00387654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

-0.646

Water Solubility, LogSw

-3.02

Polar Surface Area

72.048

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8009-4895 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8009-4895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4895?
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What is the minimum amount of 8009-4895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4895
  • 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 8009-4895 available by request