D076-0008 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methoxy-N~1~-(3-methoxybenzyl)benzamide

D076-0008 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methoxy-N~1~-(3-methoxybenzyl)benzamide
D076-0008 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methoxy-N~1~-(3-methoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0008
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methoxy-N~1~-(3-methoxybenzyl)benzamide

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

D076-0008

Molecular Formula

C20H23NO5S (C20 H23 NO5 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methoxy-N~1~-(3-methoxybenzyl)benzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide

SMILES

COc1cccc(CN(C(CC2)CS2(=O)=O)C(c2cc(OC)ccc2)=O)c1

InChI

InChI=1S/C20H23NO5S/c1-25-18-7-3-5-15(11-18)13-21(17-9-10-27(23,24)14-17)20(22)16-6-4-8-19(12-16)26-2/h3-8,11-12,17H,9-10,13-14H2,1-2H3/t17-/m1/s1

InChI Key

JSIGVEJACVTLQY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06647908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.992

Distribution Coefficient, logD

1.992

Water Solubility, LogSw

-2.48

Polar Surface Area

58.947

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D076-0008 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D076-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0008?
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What is the minimum amount of D076-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0008
  • 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 D076-0008 available by request