8016-5762 Screening compound: 4-ethyl 2-methyl 5-(acetylamino)-3-methyl-2,4-thiophenedicarboxylate

8016-5762 Screening compound: 4-ethyl 2-methyl 5-(acetylamino)-3-methyl-2,4-thiophenedicarboxylate
8016-5762 Screening compound: 4-ethyl 2-methyl 5-(acetylamino)-3-methyl-2,4-thiophenedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5762
4-ethyl 2-methyl 5-(acetylamino)-3-methyl-2,4-thiophenedicarboxylate

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

8016-5762

Molecular Formula

C12H15NO5S (C12 H15 NO5 S)

Compound Name

4-ethyl 2-methyl 5-(acetylamino)-3-methyl-2,4-thiophenedicarboxylate

IUPAC name

4-ethyl 2-methyl 5-acetamido-3-methylthiophene-24-dicarboxylate

SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-5-18-11(15)8-6(2)9(12(16)17-4)19-10(8)13-7(3)14/h5H2,1-4H3,(H,13,14)

InChI Key

APDBAYSZFWTFPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00522929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

-0.167

Water Solubility, LogSw

-2.00

Polar Surface Area

65.222

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

-7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

8016-5762 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-5762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5762?
Check Price and Availability of 8016-5762, 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 8016-5762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5762
  • 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 8016-5762 available by request