3237-0176 Screening compound: N-(3,4-dimethylphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}acetamide

3237-0176 Screening compound: N-(3,4-dimethylphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}acetamide
3237-0176 Screening compound: N-(3,4-dimethylphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0176
N-(3,4-dimethylphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}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

3237-0176

Molecular Formula

C19H17NO2S (C19 H17 NO2 S)

Compound Name

N-(3,4-dimethylphenyl)-N-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}acetamide

IUPAC name

N-(34-dimethylphenyl)-N-{[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}acetamide

SMILES

CC(N(/C=C1\Sc(cccc2)c2C1=O)c1cc(C)c(C)cc1)=O

InChI

InChI=1S/C19H17NO2S/c1-12-8-9-15(10-13(12)2)20(14(3)21)11-18-19(22)16-6-4-5-7-17(16)23-18/h4-11H,1-3H3

InChI Key

DXRWXXKVNYPFPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01956396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.920

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-4.05

Polar Surface Area

30.372

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 3237-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0176?
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What is the minimum amount of 3237-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0176
  • 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 3237-0176 available by request