V015-5467 Screening compound: ethyl 6-cyano-2-(3-methoxy-3-oxopropanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

V015-5467 Screening compound: ethyl 6-cyano-2-(3-methoxy-3-oxopropanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
V015-5467 Screening compound: ethyl 6-cyano-2-(3-methoxy-3-oxopropanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-5467
ethyl 6-cyano-2-(3-methoxy-3-oxopropanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

V015-5467

Molecular Formula

C22H22N2O5S (C22 H22 N2 O5 S)

Compound Name

ethyl 6-cyano-2-(3-methoxy-3-oxopropanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 6-cyano-2-(3-methoxy-3-oxopropanamido)-6-phenyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CC(OC)=O)=O)sc(C2)c1CCC2(c1ccccc1)C#N)=O

InChI

InChI=1S/C22H22N2O5S/c1-3-29-21(27)19-15-9-10-22(13-23,14-7-5-4-6-8-14)12-16(15)30-20(19)24-17(25)11-18(26)28-2/h4-8H,3,9-12H2,1-2H3,(H,24,25)/t22-/m1/s1

InChI Key

INCTXPRIZNNIJE-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19957360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

0.782

Water Solubility, LogSw

-3.40

Polar Surface Area

81.220

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

-6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V015-5467 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V015-5467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-5467?
Check Price and Availability of V015-5467, 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 V015-5467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-5467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-5467
  • 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 V015-5467 available by request