7066-9779 Screening compound: N-(4-fluorophenyl)-2-(3-{[(2E)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetamide

7066-9779 Screening compound: N-(4-fluorophenyl)-2-(3-{[(2E)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetamide
7066-9779 Screening compound: N-(4-fluorophenyl)-2-(3-{[(2E)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7066-9779
N-(4-fluorophenyl)-2-(3-{[(2E)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetamide

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

7066-9779

Molecular Formula

C25H17FN2O2S (C25 H17 FN2 O2 S)

Compound Name

N-(4-fluorophenyl)-2-(3-{[(2E)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetamide

IUPAC name

N-(4-fluorophenyl)-2-(3-{[(2E)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}-1H-indol-1-yl)acetamide

SMILES

O=C(Cn1c(cccc2)c2c(/C=C2/Sc(cccc3)c3C2=O)c1)Nc(cc1)ccc1F

InChI

InChI=1S/C25H17FN2O2S/c26-17-9-11-18(12-10-17)27-24(29)15-28-14-16(19-5-1-3-7-21(19)28)13-23-25(30)20-6-2-4-8-22(20)31-23/h1-14H,15H2,(H,27,29)

InChI Key

NHFOAOTXEVMVEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04395491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.257

Water Solubility, LogSw

-5.39

Polar Surface Area

38.281

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

7066-9779 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7066-9779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7066-9779?
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What is the minimum amount of 7066-9779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7066-9779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7066-9779
  • 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 7066-9779 available by request