3365-6520 Screening compound: methyl 6-ethyl-2-[2-phenyl-2-(phenylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3365-6520 Screening compound: methyl 6-ethyl-2-[2-phenyl-2-(phenylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3365-6520 Screening compound: methyl 6-ethyl-2-[2-phenyl-2-(phenylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3365-6520
methyl 6-ethyl-2-[2-phenyl-2-(phenylsulfanyl)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

3365-6520

Molecular Formula

C26H27NO3S2 (C26 H27 NO3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC1)Cc2c1c(C(OC)=O)c(NC(C(c1ccccc1)Sc1ccccc1)=O)s2

InChI

InChI=1S/C26H27NO3S2/c1-3-17-14-15-20-21(16-17)32-25(22(20)26(29)30-2)27-24(28)23(18-10-6-4-7-11-18)31-19-12-8-5-9-13-19/h4-13,17,23H,3,14-16H2,1-2H3,(H,27,28)

InChI Key

NQUCCCKTPIHCMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01353243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.007

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-5.96

Polar Surface Area

43.947

Acid Dissociation Constant (pKa)

4.35

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

3365-6520 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 3365-6520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3365-6520?
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What is the minimum amount of 3365-6520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3365-6520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3365-6520
  • 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 3365-6520 available by request