V017-6370 Screening compound: ethyl 6-cyano-2-(2,2-dimethylpropanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

V017-6370 Screening compound: ethyl 6-cyano-2-(2,2-dimethylpropanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
V017-6370 Screening compound: ethyl 6-cyano-2-(2,2-dimethylpropanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6370
ethyl 6-cyano-2-(2,2-dimethylpropanamido)-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

V017-6370

Molecular Formula

C23H26N2O3S (C23 H26 N2 O3 S)

Compound Name

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

IUPAC name

ethyl 6-cyano-2-(22-dimethylpropanamido)-6-phenyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-5-28-20(26)18-16-11-12-23(14-24,15-9-7-6-8-10-15)13-17(16)29-19(18)25-21(27)22(2,3)4/h6-10H,5,11-13H2,1-4H3,(H,25,27)/t23-/m1/s1

InChI Key

NMSLTJFJYFNDNS-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19957425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

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

4.613

Distribution Coefficient, logD

2.002

Water Solubility, LogSw

-4.53

Polar Surface Area

60.854

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

V017-6370 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V017-6370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6370?
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What is the minimum amount of V017-6370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6370
  • 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 V017-6370 available by request