8010-8459 Screening compound: ethyl 6-ethyl-2-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8010-8459 Screening compound: ethyl 6-ethyl-2-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8010-8459 Screening compound: ethyl 6-ethyl-2-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8459
ethyl 6-ethyl-2-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-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

8010-8459

Molecular Formula

C18H23N3O3S3 (C18 H23 N3 O3 S3)

Compound Name

ethyl 6-ethyl-2-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

n/a

SMILES

CCC(CC1)Cc2c1c(C(OCC)=O)c(NC(CSc1nnc(C)s1)=O)s2

InChI

InChI=1S/C18H23N3O3S3/c1-4-11-6-7-12-13(8-11)27-16(15(12)17(23)24-5-2)19-14(22)9-25-18-21-20-10(3)26-18/h11H,4-9H2,1-3H3,(H,19,22)/t11-/m1/s1

InChI Key

NUMYLPQTIFYIOV-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02139940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.148

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-4.21

Polar Surface Area

66.256

Acid Dissociation Constant (pKa)

5.35

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

8010-8459 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-8459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8459?
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What is the minimum amount of 8010-8459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8459
  • 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 8010-8459 available by request