6214-0939 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-oxo-N~3~-(2-thienylmethyl)-2H-chromene-3-carboxamide

6214-0939 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-oxo-N~3~-(2-thienylmethyl)-2H-chromene-3-carboxamide
6214-0939 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-oxo-N~3~-(2-thienylmethyl)-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0939
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-oxo-N~3~-(2-thienylmethyl)-2H-chromene-3-carboxamide

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

6214-0939

Molecular Formula

C19H17NO5S2 (C19 H17 NO5 S2)

Compound Name

N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-oxo-N~3~-(2-thienylmethyl)-2H-chromene-3-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-oxo-N-[(thiophen-2-yl)methyl]-2H-chromene-3-carboxamide

SMILES

O=C(C1=Cc(cccc2)c2OC1=O)N(Cc1cccs1)C(CC1)CS1(=O)=O

InChI

InChI=1S/C19H17NO5S2/c21-18(16-10-13-4-1-2-6-17(13)25-19(16)22)20(11-15-5-3-8-26-15)14-7-9-27(23,24)12-14/h1-6,8,10,14H,7,9,11-12H2/t14-/m1/s1

InChI Key

GPLCFHHDVLLAFI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04019966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.698

Distribution Coefficient, logD

1.698

Water Solubility, LogSw

-2.34

Polar Surface Area

65.800

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

6214-0939 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6214-0939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0939?
Check Price and Availability of 6214-0939, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6214-0939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0939
  • 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 6214-0939 available by request