V030-1220 Screening compound: ethyl 2-(2-methylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

V030-1220 Screening compound: ethyl 2-(2-methylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
V030-1220 Screening compound: ethyl 2-(2-methylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1220
ethyl 2-(2-methylbutanamido)-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

V030-1220

Molecular Formula

C16H23NO3S (C16 H23 NO3 S)

Compound Name

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

IUPAC name

ethyl 2-(2-methylbutanamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCC(C)C(Nc1c(C(OCC)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C16H23NO3S/c1-4-10(3)14(18)17-15-13(16(19)20-5-2)11-8-6-7-9-12(11)21-15/h10H,4-9H2,1-3H3,(H,17,18)/t10-/m0/s1

InChI Key

YOTFNEOABNWIQO-JTQLQIEISA-N

MDL Number (MFCD)

MFCD03575914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.43

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

3.975

Distribution Coefficient, logD

1.400

Water Solubility, LogSw

-4.08

Polar Surface Area

44.070

Acid Dissociation Constant (pKa)

4.83

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with V030-1220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1220?
Check Price and Availability of V030-1220, 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 V030-1220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1220
  • 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 V030-1220 available by request