2469-0155 Screening compound: ethyl 2-(3-chloro-4-methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2469-0155 Screening compound: ethyl 2-(3-chloro-4-methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2469-0155 Screening compound: ethyl 2-(3-chloro-4-methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2469-0155
ethyl 2-(3-chloro-4-methoxybenzamido)-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

2469-0155

Molecular Formula

C19H20ClNO4S (C19 H20 ClNO4 S)

Compound Name

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

IUPAC name

ethyl 2-(3-chloro-4-methoxybenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)cc(Cl)c2OC)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C19H20ClNO4S/c1-3-25-19(23)16-12-6-4-5-7-15(12)26-18(16)21-17(22)11-8-9-14(24-2)13(20)10-11/h8-10H,3-7H2,1-2H3,(H,21,22)

InChI Key

VTBDRIJDOOXUHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

0.231

Water Solubility, LogSw

-4.87

Polar Surface Area

51.429

Acid Dissociation Constant (pKa)

3.17

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 2469-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2469-0155?
Check Price and Availability of 2469-0155, 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 2469-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2469-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2469-0155
  • 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 2469-0155 available by request