0556-0053 Screening compound: ethyl 5-acetyl-2-(3-methoxybenzamido)-4-methylthiophene-3-carboxylate

0556-0053 Screening compound: ethyl 5-acetyl-2-(3-methoxybenzamido)-4-methylthiophene-3-carboxylate
0556-0053 Screening compound: ethyl 5-acetyl-2-(3-methoxybenzamido)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0556-0053
ethyl 5-acetyl-2-(3-methoxybenzamido)-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

0556-0053

Molecular Formula

C18H19NO5S (C18 H19 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(c2cc(OC)ccc2)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C18H19NO5S/c1-5-24-18(22)14-10(2)15(11(3)20)25-17(14)19-16(21)12-7-6-8-13(9-12)23-4/h6-9H,5H2,1-4H3,(H,19,21)

InChI Key

AJJAIDLVCWILLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.067

Distribution Coefficient, logD

-0.512

Water Solubility, LogSw

-3.40

Polar Surface Area

65.248

Acid Dissociation Constant (pKa)

3.82

Base Dissociation Constant (pKb)

-9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

0556-0053 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0556-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0556-0053?
Check Price and Availability of 0556-0053, 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 0556-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0556-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0556-0053
  • 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 0556-0053 available by request