3261-0317 Screening compound: ethyl 5-acetyl-2-(3-chlorobenzamido)-4-methylthiophene-3-carboxylate

3261-0317 Screening compound: ethyl 5-acetyl-2-(3-chlorobenzamido)-4-methylthiophene-3-carboxylate
3261-0317 Screening compound: ethyl 5-acetyl-2-(3-chlorobenzamido)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0317
ethyl 5-acetyl-2-(3-chlorobenzamido)-4-methylthiophene-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

3261-0317

Molecular Formula

C17H16ClNO4S (C17 H16 ClNO4 S)

Compound Name

ethyl 5-acetyl-2-(3-chlorobenzamido)-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-acetyl-2-(3-chlorobenzamido)-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cccc(Cl)c2)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C17H16ClNO4S/c1-4-23-17(22)13-9(2)14(10(3)20)24-16(13)19-15(21)11-6-5-7-12(18)8-11/h5-8H,4H2,1-3H3,(H,19,21)

InChI Key

ULJFCECINCNQMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01350625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

-1.417

Water Solubility, LogSw

-4.52

Polar Surface Area

57.704

Acid Dissociation Constant (pKa)

2.32

Base Dissociation Constant (pKb)

-10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 3261-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0317?
Check Price and Availability of 3261-0317, 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 3261-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0317
  • 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 3261-0317 available by request