8008-4438 Screening compound: ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate

8008-4438 Screening compound: ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate
8008-4438 Screening compound: ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4438
ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-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

8008-4438

Molecular Formula

C12H15NO2S (C12 H15 NO2 S)

Compound Name

ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate

IUPAC name

ethyl 256-trimethyl-4H-thieno[32-b]pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)sc2c1[nH]c(C)c2C)=O

InChI

InChI=1S/C12H15NO2S/c1-5-15-12(14)9-8(4)16-11-6(2)7(3)13-10(9)11/h13H,5H2,1-4H3

InChI Key

ORCJMOFNEACBFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01044393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.42

Polar Surface Area

32.707

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

8008-4438 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-4438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4438?
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What is the minimum amount of 8008-4438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4438
  • 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 8008-4438 available by request