5867-3765 Screening compound: ethyl 6-methyl-2-[2-(quinolin-2-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

5867-3765 Screening compound: ethyl 6-methyl-2-[2-(quinolin-2-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
5867-3765 Screening compound: ethyl 6-methyl-2-[2-(quinolin-2-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-3765
ethyl 6-methyl-2-[2-(quinolin-2-ylsulfanyl)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

5867-3765

Molecular Formula

C23H24N2O3S2 (C23 H24 N2 O3 S2)

Compound Name

ethyl 6-methyl-2-[2-(quinolin-2-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 6-methyl-2-[2-(quinolin-2-ylsulfanyl)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nc3ccccc3cc2)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C23H24N2O3S2/c1-3-28-23(27)21-16-10-8-14(2)12-18(16)30-22(21)25-19(26)13-29-20-11-9-15-6-4-5-7-17(15)24-20/h4-7,9,11,14H,3,8,10,12-13H2,1-2H3,(H,25,26)/t14-/m1/s1

InChI Key

VXKGDTCHBXUYQU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03763387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-6.28

Polar Surface Area

51.277

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

5867-3765 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5867-3765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-3765?
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What is the minimum amount of 5867-3765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-3765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-3765
  • 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 5867-3765 available by request