3365-0485 Screening compound: ethyl 6-tert-butyl-2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3365-0485 Screening compound: ethyl 6-tert-butyl-2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3365-0485 Screening compound: ethyl 6-tert-butyl-2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3365-0485
ethyl 6-tert-butyl-2-(2-oxo-2H-chromene-3-amido)-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

3365-0485

Molecular Formula

C25H27NO5S (C25 H27 NO5 S)

Compound Name

ethyl 6-tert-butyl-2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 6-tert-butyl-2-(2-oxo-2H-chromene-3-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C2=Cc(cccc3)c3OC2=O)=O)sc(C2)c1CCC2C(C)(C)C)=O

InChI

InChI=1S/C25H27NO5S/c1-5-30-24(29)20-16-11-10-15(25(2,3)4)13-19(16)32-22(20)26-21(27)17-12-14-8-6-7-9-18(14)31-23(17)28/h6-9,12,15H,5,10-11,13H2,1-4H3,(H,26,27)/t15-/m1/s1

InChI Key

MTGIVFAYTHAEIF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01348828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.554

Distribution Coefficient, logD

0.611

Water Solubility, LogSw

-5.54

Polar Surface Area

64.720

Acid Dissociation Constant (pKa)

2.46

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

3365-0485 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3365-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3365-0485?
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What is the minimum amount of 3365-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3365-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3365-0485
  • 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 3365-0485 available by request