6214-0835 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide

6214-0835 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide
6214-0835 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0835
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-methoxybenzyl)-2-oxo-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

6214-0835

Molecular Formula

C22H21NO6S (C22 H21 NO6 S)

Compound Name

N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxo-2H-chromene-3-carboxamide

SMILES

COc1ccc(CN(C(CC2)CS2(=O)=O)C(C2=Cc(cccc3)c3OC2=O)=O)cc1

InChI

InChI=1S/C22H21NO6S/c1-28-18-8-6-15(7-9-18)13-23(17-10-11-30(26,27)14-17)21(24)19-12-16-4-2-3-5-20(16)29-22(19)25/h2-9,12,17H,10-11,13-14H2,1H3

InChI Key

AMZYQLHSUBPOAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04018231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.710

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-2.36

Polar Surface Area

72.325

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-6.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

6214-0835 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 6214-0835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0835?
Check Price and Availability of 6214-0835, 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 6214-0835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0835
  • 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 6214-0835 available by request