V017-6358 Screening compound: ethyl 2-butanamido-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

V017-6358 Screening compound: ethyl 2-butanamido-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
V017-6358 Screening compound: ethyl 2-butanamido-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6358
ethyl 2-butanamido-6-cyano-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

V017-6358

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

ethyl 2-butanamido-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-butanamido-6-cyano-6-phenyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCCC(Nc1c(C(OCC)=O)c(CCC(C2)(c3ccccc3)C#N)c2s1)=O

InChI

InChI=1S/C22H24N2O3S/c1-3-8-18(25)24-20-19(21(26)27-4-2)16-11-12-22(14-23,13-17(16)28-20)15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,24,25)/t22-/m1/s1

InChI Key

PKZYXHFSVQZRFM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19957327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.350

Distribution Coefficient, logD

2.047

Water Solubility, LogSw

-4.35

Polar Surface Area

60.641

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

-5.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V017-6358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6358?
Check Price and Availability of V017-6358, 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 V017-6358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6358
  • 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 V017-6358 available by request