8015-1718 Screening compound: 1-{3-[3-(4-chlorophenyl)-4-oxo-5-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl]propyl}piperidine-4-carboxamide

8015-1718 Screening compound: 1-{3-[3-(4-chlorophenyl)-4-oxo-5-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl]propyl}piperidine-4-carboxamide
8015-1718 Screening compound: 1-{3-[3-(4-chlorophenyl)-4-oxo-5-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl]propyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1718
1-{3-[3-(4-chlorophenyl)-4-oxo-5-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl]propyl}piperidine-4-carboxamide

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

8015-1718

Molecular Formula

C29H36ClN5O4S (C29 H36 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1NC(CC(C(N1c(cc2)ccc2Cl)=O)N(CCCN(CC2)CCC2C(N)=O)C1=S)=O

InChI

InChI=1S/C29H36ClN5O4S/c1-2-18-39-24-10-6-22(7-11-24)32-26(36)19-25-28(38)35(23-8-4-21(30)5-9-23)29(40)34(25)15-3-14-33-16-12-20(13-17-33)27(31)37/h4-11,20,25H,2-3,12-19H2,1H3,(H2,31,37)(H,32,36)/t25-/m1/s1

InChI Key

PWJGWNGQYAFLQF-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03854657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.15

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

0.227

Water Solubility, LogSw

-3.55

Polar Surface Area

86.835

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

10.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

8015-1718 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 8015-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1718?
Check Price and Availability of 8015-1718, 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 8015-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1718
  • 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 8015-1718 available by request