C530-0318 Screening compound: N-CYCLOPENTYL-9-ETHYL-2210-TRIOXO-2LAMBDA6-THIA-9-AZATRICYCLO[9.4.0.0{38}]PENTADECA-1(11)3(8)461214-HEXAENE-6-CARBOXAMIDE

C530-0318 Screening compound: N-CYCLOPENTYL-9-ETHYL-2210-TRIOXO-2LAMBDA6-THIA-9-AZATRICYCLO[9.4.0.0{38}]PENTADECA-1(11)3(8)461214-HEXAENE-6-CARBOXAMIDE
C530-0318 Screening compound: N-CYCLOPENTYL-9-ETHYL-2210-TRIOXO-2LAMBDA6-THIA-9-AZATRICYCLO[9.4.0.0{38}]PENTADECA-1(11)3(8)461214-HEXAENE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C530-0318
N-CYCLOPENTYL-9-ETHYL-2210-TRIOXO-2LAMBDA6-THIA-9-AZATRICYCLO[9.4.0.0{38}]PENTADECA-1(11)3(8)461214-HEXAENE-6-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

C530-0318

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

N-CYCLOPENTYL-9-ETHYL-2210-TRIOXO-2LAMBDA6-THIA-9-AZATRICYCLO[9.4.0.0{38}]PENTADECA-1(11)3(8)461214-HEXAENE-6-CARBOXAMIDE

IUPAC name

N-cyclopentyl-9-ethyl-2210-trioxo-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

CCN(c(cc(cc1)C(NC2CCCC2)=O)c1S(c1c2cccc1)(=O)=O)C2=O

InChI

InChI=1S/C21H22N2O4S/c1-2-23-17-13-14(20(24)22-15-7-3-4-8-15)11-12-19(17)28(26,27)18-10-6-5-9-16(18)21(23)25/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,22,24)

InChI Key

AYZVBUVVIATRFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.810

Distribution Coefficient, logD

2.810

Water Solubility, LogSw

-3.67

Polar Surface Area

68.882

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

C530-0318 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C530-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C530-0318?
Check Price and Availability of C530-0318, 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 C530-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C530-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C530-0318
  • 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 C530-0318 available by request