3615-0364 Screening compound: ethyl 2-(3-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetate

3615-0364 Screening compound: ethyl 2-(3-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetate
3615-0364 Screening compound: ethyl 2-(3-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0364
ethyl 2-(3-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetate

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

3615-0364

Molecular Formula

C21H17NO3S (C21 H17 NO3 S)

Compound Name

ethyl 2-(3-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetate

IUPAC name

ethyl 2-(3-{[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetate

SMILES

CCOC(Cn1c(cccc2)c2c(/C=C2\Sc(cccc3)c3C2=O)c1)=O

InChI

InChI=1S/C21H17NO3S/c1-2-25-20(23)13-22-12-14(15-7-3-5-9-17(15)22)11-19-21(24)16-8-4-6-10-18(16)26-19/h3-12H,2,13H2,1H3

InChI Key

JANCWSZWBVZNEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02231944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.06

Polar Surface Area

35.562

Acid Dissociation Constant (pKa)

22.71

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3615-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0364?
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What is the minimum amount of 3615-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0364
  • 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 3615-0364 available by request