1683-0512 Screening compound: ethyl 5-acetyl-4-methyl-2-(2-methylpropanamido)thiophene-3-carboxylate

1683-0512 Screening compound: ethyl 5-acetyl-4-methyl-2-(2-methylpropanamido)thiophene-3-carboxylate
1683-0512 Screening compound: ethyl 5-acetyl-4-methyl-2-(2-methylpropanamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0512
ethyl 5-acetyl-4-methyl-2-(2-methylpropanamido)thiophene-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

1683-0512

Molecular Formula

C14H19NO4S (C14 H19 NO4 S)

Compound Name

ethyl 5-acetyl-4-methyl-2-(2-methylpropanamido)thiophene-3-carboxylate

IUPAC name

ethyl 5-acetyl-4-methyl-2-(2-methylpropanamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)C)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C14H19NO4S/c1-6-19-14(18)10-8(4)11(9(5)16)20-13(10)15-12(17)7(2)3/h7H,6H2,1-5H3,(H,15,17)

InChI Key

GSDOGPIZUYADLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00706675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.38

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

2.452

Distribution Coefficient, logD

-0.478

Water Solubility, LogSw

-2.72

Polar Surface Area

57.976

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

-7.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

1683-0512 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Frequent Hitters Library (7624 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Structure:
  • Pool
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1683-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0512?
Check Price and Availability of 1683-0512, 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 1683-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0512
  • 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 1683-0512 available by request