8008-7867 Screening compound: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-5-ethylthiophene-3-carboxylate

8008-7867 Screening compound: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-5-ethylthiophene-3-carboxylate
8008-7867 Screening compound: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-5-ethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7867
ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-5-ethylthiophene-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

8008-7867

Molecular Formula

C18H19NO5S (C18 H19 NO5 S)

Compound Name

ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-5-ethylthiophene-3-carboxylate

IUPAC name

ethyl 2-(23-dihydro-14-benzodioxine-6-amido)-5-ethylthiophene-3-carboxylate

SMILES

CCc1cc(C(OCC)=O)c(NC(c(cc2)cc3c2OCCO3)=O)s1

InChI

InChI=1S/C18H19NO5S/c1-3-12-10-13(18(21)22-4-2)17(25-12)19-16(20)11-5-6-14-15(9-11)24-8-7-23-14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20)

InChI Key

XHASPIQPOSWHTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01191243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

1.465

Water Solubility, LogSw

-3.45

Polar Surface Area

59.701

Acid Dissociation Constant (pKa)

5.73

Base Dissociation Constant (pKb)

-7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8008-7867 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cardiovascular
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8008-7867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7867?
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What is the minimum amount of 8008-7867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7867
  • 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 8008-7867 available by request