8015-4404 Screening compound: 1-(3-{3-(4-chlorophenyl)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide

8015-4404 Screening compound: 1-(3-{3-(4-chlorophenyl)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide
8015-4404 Screening compound: 1-(3-{3-(4-chlorophenyl)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4404
1-(3-{3-(4-chlorophenyl)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-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

8015-4404

Molecular Formula

C28H34ClN5O4S (C28 H34 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H34ClN5O4S/c1-2-38-23-10-6-21(7-11-23)31-25(35)18-24-27(37)34(22-8-4-20(29)5-9-22)28(39)33(24)15-3-14-32-16-12-19(13-17-32)26(30)36/h4-11,19,24H,2-3,12-18H2,1H3,(H2,30,36)(H,31,35)/t24-/m1/s1

InChI Key

ABRHIFHIZPRUHT-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03916486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.13

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.443

Distribution Coefficient, logD

-0.363

Water Solubility, LogSw

-3.30

Polar Surface Area

86.540

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

10.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

8015-4404 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 8015-4404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4404?
Check Price and Availability of 8015-4404, 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 8015-4404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4404
  • 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 8015-4404 available by request