V013-5932 Screening compound: ethyl 6-cyano-2-(3,4-difluorobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

V013-5932 Screening compound: ethyl 6-cyano-2-(3,4-difluorobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
V013-5932 Screening compound: ethyl 6-cyano-2-(3,4-difluorobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5932
ethyl 6-cyano-2-(3,4-difluorobenzamido)-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

V013-5932

Molecular Formula

C25H20F2N2O3S (C25 H20 F2 N2 O3 S)

Compound Name

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

IUPAC name

ethyl 6-cyano-2-(34-difluorobenzamido)-6-phenyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)cc(F)c2F)=O)sc(C2)c1CCC2(c1ccccc1)C#N)=O

InChI

InChI=1S/C25H20F2N2O3S/c1-2-32-24(31)21-17-10-11-25(14-28,16-6-4-3-5-7-16)13-20(17)33-23(21)29-22(30)15-8-9-18(26)19(27)12-15/h3-9,12H,2,10-11,13H2,1H3,(H,29,30)/t25-/m1/s1

InChI Key

YGACXHPSDWPBKK-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19957403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.398

Distribution Coefficient, logD

-0.054

Water Solubility, LogSw

-5.49

Polar Surface Area

60.583

Acid Dissociation Constant (pKa)

1.95

Base Dissociation Constant (pKb)

-8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

V013-5932 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 V013-5932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5932?
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What is the minimum amount of V013-5932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5932
  • 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 V013-5932 available by request