8015-4387 Screening compound: 1-(3-{5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-3-phenethyl-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide

8015-4387 Screening compound: 1-(3-{5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-3-phenethyl-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide
8015-4387 Screening compound: 1-(3-{5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-3-phenethyl-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4387
1-(3-{5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-3-phenethyl-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide

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

8015-4387

Molecular Formula

C30H39N5O4S (C30 H39 N5 O4 S)

Compound Name

1-(3-{5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-3-phenethyl-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide

IUPAC name

1-[3-(5-{[(4-ethoxyphenyl)carbamoyl]methyl}-4-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-1-yl)propyl]piperidine-4-carboxamide

SMILES

CCOc(cc1)ccc1NC(CC(C(N1CCc2ccccc2)=O)N(CCCN(CC2)CCC2C(N)=O)C1=S)=O

InChI

InChI=1S/C30H39N5O4S/c1-2-39-25-11-9-24(10-12-25)32-27(36)21-26-29(38)35(20-13-22-7-4-3-5-8-22)30(40)34(26)17-6-16-33-18-14-23(15-19-33)28(31)37/h3-5,7-12,23,26H,2,6,13-21H2,1H3,(H2,31,37)(H,32,36)/t26-/m1/s1

InChI Key

OCVXEMJTCVBMOR-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03916492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

-0.383

Water Solubility, LogSw

-2.84

Polar Surface Area

87.130

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

10.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

8015-4387 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8015-4387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4387?
Check Price and Availability of 8015-4387, 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 8015-4387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4387
  • 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 8015-4387 available by request