6214-0887 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-ethylbenzyl)-2-oxo-2H-chromene-3-carboxamide

6214-0887 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-ethylbenzyl)-2-oxo-2H-chromene-3-carboxamide
6214-0887 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-ethylbenzyl)-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0887
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-ethylbenzyl)-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

6214-0887

Molecular Formula

C23H23NO5S (C23 H23 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CN(C(CC2)CS2(=O)=O)C(C2=Cc(cccc3)c3OC2=O)=O)cc1

InChI

InChI=1S/C23H23NO5S/c1-2-16-7-9-17(10-8-16)14-24(19-11-12-30(27,28)15-19)22(25)20-13-18-5-3-4-6-21(18)29-23(20)26/h3-10,13,19H,2,11-12,14-15H2,1H3/t19-/m1/s1

InChI Key

DDSRWPOHYBYCCA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04007672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.658

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-3.08

Polar Surface Area

64.781

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

6214-0887 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6214-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0887?
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What is the minimum amount of 6214-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0887
  • 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 6214-0887 available by request