3237-0186 Screening compound: N-(4-methoxyphenyl)-N-{[3-oxo-1-benzothiophen-2(3H)-yliden]methyl}-2-furamide

3237-0186 Screening compound: N-(4-methoxyphenyl)-N-{[3-oxo-1-benzothiophen-2(3H)-yliden]methyl}-2-furamide
3237-0186 Screening compound: N-(4-methoxyphenyl)-N-{[3-oxo-1-benzothiophen-2(3H)-yliden]methyl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0186
N-(4-methoxyphenyl)-N-{[3-oxo-1-benzothiophen-2(3H)-yliden]methyl}-2-furamide

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

3237-0186

Molecular Formula

C21H15NO4S (C21 H15 NO4 S)

Compound Name

N-(4-methoxyphenyl)-N-{[3-oxo-1-benzothiophen-2(3H)-yliden]methyl}-2-furamide

IUPAC name

N-(4-methoxyphenyl)-N-{[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}furan-2-carboxamide

SMILES

COc(cc1)ccc1N(/C=C1\Sc(cccc2)c2C1=O)C(c1ccco1)=O

InChI

InChI=1S/C21H15NO4S/c1-25-15-10-8-14(9-11-15)22(21(24)17-6-4-12-26-17)13-19-20(23)16-5-2-3-7-18(16)27-19/h2-13H,1H3

InChI Key

XQYBXLJVLRGGQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00840742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.97

Polar Surface Area

45.755

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.76

References: we are preparing a list of scientific research reports with 3237-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0186?
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What is the minimum amount of 3237-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0186
  • 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 3237-0186 available by request