8015-1953 Screening compound: 1-(3-{3-benzyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide

8015-1953 Screening compound: 1-(3-{3-benzyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide
8015-1953 Screening compound: 1-(3-{3-benzyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1953
1-(3-{3-benzyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-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

8015-1953

Molecular Formula

C30H39N5O4S (C30 H39 N5 O4 S)

Compound Name

1-(3-{3-benzyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}propyl)-4-piperidinecarboxamide

IUPAC name

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

SMILES

CCCOc(cc1)ccc1NC(CC(C(N1Cc2ccccc2)=O)N(CCCN(CC2)CCC2C(N)=O)C1=S)=O

InChI

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

GFIOPFDTUAHYOR-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03854854

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

2.914

Distribution Coefficient, logD

0.108

Water Solubility, LogSw

-3.33

Polar Surface Area

87.446

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

10.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

8015-1953 in Drug Discovery

Included in Screening Libraries

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)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 8015-1953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1953?
Check Price and Availability of 8015-1953, 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 8015-1953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1953
  • 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 8015-1953 available by request