6214-0528 Screening compound: N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-ethoxybenzamide

6214-0528 Screening compound: N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-ethoxybenzamide
6214-0528 Screening compound: N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0528
N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-ethoxybenzamide

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

6214-0528

Molecular Formula

C22H27NO6S (C22 H27 NO6 S)

Compound Name

N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-ethoxybenzamide

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)-3-ethoxybenzamide

SMILES

CCOc1cccc(C(N(Cc(cc2)cc(OC)c2OC)C(CC2)CS2(=O)=O)=O)c1

InChI

InChI=1S/C22H27NO6S/c1-4-29-19-7-5-6-17(13-19)22(24)23(18-10-11-30(25,26)15-18)14-16-8-9-20(27-2)21(12-16)28-3/h5-9,12-13,18H,4,10-11,14-15H2,1-3H3/t18-/m1/s1

InChI Key

MTRBQZXFBIDKLC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04012844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.897

Distribution Coefficient, logD

1.897

Water Solubility, LogSw

-2.65

Polar Surface Area

66.244

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

6214-0528 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 6214-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0528?
Check Price and Availability of 6214-0528, 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 6214-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0528
  • 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 6214-0528 available by request