D051-0002 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-N~1~-[(3-methyl-2-thienyl)methyl]benzamide

D051-0002 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-N~1~-[(3-methyl-2-thienyl)methyl]benzamide
D051-0002 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-N~1~-[(3-methyl-2-thienyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0002
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-N~1~-[(3-methyl-2-thienyl)methyl]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

D051-0002

Molecular Formula

C18H21NO3S2 (C18 H21 NO3 S2)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-N~1~-[(3-methyl-2-thienyl)methyl]benzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

SMILES

Cc1c(CN(C(CC2)CS2(=O)=O)C(c2ccc(C)cc2)=O)scc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.829

Distribution Coefficient, logD

2.829

Water Solubility, LogSw

-3.04

Polar Surface Area

44.878

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D051-0002 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D051-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0002?
Check Price and Availability of D051-0002, 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 D051-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0002
  • 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 D051-0002 available by request