6214-0476 Screening compound: N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methoxybenzamide

6214-0476 Screening compound: N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methoxybenzamide
6214-0476 Screening compound: N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0476
N~1~-(3,4-dimethoxybenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methoxybenzamide

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

6214-0476

Molecular Formula

C21H25NO6S (C21 H25 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(N(Cc(cc2)cc(OC)c2OC)C(CC2)CS2(=O)=O)=O)c1

InChI

InChI=1S/C21H25NO6S/c1-26-18-6-4-5-16(12-18)21(23)22(17-9-10-29(24,25)14-17)13-15-7-8-19(27-2)20(11-15)28-3/h4-8,11-12,17H,9-10,13-14H2,1-3H3/t17-/m1/s1

InChI Key

HWPKHIQAGZULAG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD04014412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.510

Distribution Coefficient, logD

1.510

Water Solubility, LogSw

-2.33

Polar Surface Area

66.664

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

6214-0476 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 6214-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0476?
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What is the minimum amount of 6214-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0476
  • 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 6214-0476 available by request