8016-8502 Screening compound: ethyl 1-hexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate

8016-8502 Screening compound: ethyl 1-hexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
8016-8502 Screening compound: ethyl 1-hexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8502
ethyl 1-hexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate

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

8016-8502

Molecular Formula

C13H21NO4 (C13 H21 NO4)

Compound Name

ethyl 1-hexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 1-hexyl-4-hydroxy-5-oxo-25-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCCCCCN(CC(C(OCC)=O)=C1O)C1=O

InChI

InChI=1S/C13H21NO4/c1-3-5-6-7-8-14-9-10(11(15)12(14)16)13(17)18-4-2/h15H,3-9H2,1-2H3

InChI Key

HHIWOSPLFVZDNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.460

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-2.18

Polar Surface Area

53.231

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.23

8016-8502 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 8016-8502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8502?
Check Price and Availability of 8016-8502, 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 8016-8502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8502
  • 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 8016-8502 available by request