8010-2009 Screening compound: N-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2-(thiophen-2-yl)acetamide

8010-2009 Screening compound: N-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2-(thiophen-2-yl)acetamide
8010-2009 Screening compound: N-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2-(thiophen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2009
N-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2-(thiophen-2-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

8010-2009

Molecular Formula

C21H17NO2S (C21 H17 NO2 S)

Compound Name

N-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2-(thiophen-2-yl)acetamide

IUPAC name

N-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2-(thiophen-2-yl)acetamide

SMILES

O=C(Cc1cccs1)Nc1ccc(/C=C/C(c2ccccc2)=O)cc1

InChI

InChI=1S/C21H17NO2S/c23-20(17-5-2-1-3-6-17)13-10-16-8-11-18(12-9-16)22-21(24)15-19-7-4-14-25-19/h1-14H,15H2,(H,22,24)/b13-10+

InChI Key

UGKVYPXQDFCPLT-JLHYYAGUSA-N

MDL Number (MFCD)

MFCD01003857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-4.19

Polar Surface Area

37.110

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8010-2009 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-2009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2009?
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What is the minimum amount of 8010-2009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2009
  • 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 8010-2009 available by request