V001-6868 Screening compound: ethyl 2-(2,2-dimethylpropanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

V001-6868 Screening compound: ethyl 2-(2,2-dimethylpropanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
V001-6868 Screening compound: ethyl 2-(2,2-dimethylpropanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6868
ethyl 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

V001-6868

Molecular Formula

C22H27NO3S (C22 H27 NO3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(C(C)(C)C)=O)sc(C2)c1CCC2c1ccccc1)=O

InChI

InChI=1S/C22H27NO3S/c1-5-26-20(24)18-16-12-11-15(14-9-7-6-8-10-14)13-17(16)27-19(18)23-21(25)22(2,3)4/h6-10,15H,5,11-13H2,1-4H3,(H,23,25)/t15-/m1/s1

InChI Key

MIVICENZMRULNB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19957325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-5.35

Polar Surface Area

43.798

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with V001-6868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6868?
Check Price and Availability of V001-6868, 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 V001-6868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6868
  • 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 V001-6868 available by request