8015-1927 Screening compound: ethyl 4-{3-{3-[4-(aminocarbonyl)piperidino]propyl}-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}benzoate

8015-1927 Screening compound: ethyl 4-{3-{3-[4-(aminocarbonyl)piperidino]propyl}-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}benzoate
8015-1927 Screening compound: ethyl 4-{3-{3-[4-(aminocarbonyl)piperidino]propyl}-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1927
ethyl 4-{3-{3-[4-(aminocarbonyl)piperidino]propyl}-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}benzoate

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

8015-1927

Molecular Formula

C32H41N5O6S (C32 H41 N5 O6 S)

Compound Name

ethyl 4-{3-{3-[4-(aminocarbonyl)piperidino]propyl}-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}benzoate

IUPAC name

ethyl 4-{3-[3-(4-carbamoylpiperidin-1-yl)propyl]-5-oxo-4-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl}benzoate

SMILES

CCCOc(cc1)ccc1NC(CC(C(N1c(cc2)ccc2C(OCC)=O)=O)N(CCCN(CC2)CCC2C(N)=O)C1=S)=O

InChI

InChI=1S/C32H41N5O6S/c1-3-20-43-26-12-8-24(9-13-26)34-28(38)21-27-30(40)37(25-10-6-23(7-11-25)31(41)42-4-2)32(44)36(27)17-5-16-35-18-14-22(15-19-35)29(33)39/h6-13,22,27H,3-5,14-21H2,1-2H3,(H2,33,39)(H,34,38)/t27-/m1/s1

InChI Key

LENCEFCQRSFUSM-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03854828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

623.77

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

0.234

Water Solubility, LogSw

-3.30

Polar Surface Area

107.588

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

10.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.88

8015-1927 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with 8015-1927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1927?
Check Price and Availability of 8015-1927, 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 8015-1927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1927
  • 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 8015-1927 available by request