D111-0030 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3,4,5-trimethoxybenzyl)-2-thiophenecarboxamide

D111-0030 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3,4,5-trimethoxybenzyl)-2-thiophenecarboxamide
D111-0030 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3,4,5-trimethoxybenzyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D111-0030
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3,4,5-trimethoxybenzyl)-2-thiophenecarboxamide

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

D111-0030

Molecular Formula

C19H23NO6S2 (C19 H23 NO6 S2)

Compound Name

N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3,4,5-trimethoxybenzyl)-2-thiophenecarboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(345-trimethoxyphenyl)methyl]thiophene-2-carboxamide

SMILES

COc1cc(CN(C(CC2)CS2(=O)=O)C(c2cccs2)=O)cc(OC)c1OC

InChI

InChI=1S/C19H23NO6S2/c1-24-15-9-13(10-16(25-2)18(15)26-3)11-20(14-6-8-28(22,23)12-14)19(21)17-5-4-7-27-17/h4-5,7,9-10,14H,6,8,11-12H2,1-3H3/t14-/m1/s1

InChI Key

DFKZIACOASAKCB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06647452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

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

1.551

Distribution Coefficient, logD

1.551

Water Solubility, LogSw

-2.34

Polar Surface Area

67.856

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

D111-0030 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with D111-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D111-0030?
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What is the minimum amount of D111-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D111-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D111-0030
  • 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 D111-0030 available by request