D051-0161 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methoxyphenoxy)-N~1~-[(5-methyl-2-furyl)methyl]propanamide

D051-0161 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methoxyphenoxy)-N~1~-[(5-methyl-2-furyl)methyl]propanamide
D051-0161 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methoxyphenoxy)-N~1~-[(5-methyl-2-furyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0161
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methoxyphenoxy)-N~1~-[(5-methyl-2-furyl)methyl]propanamide

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

D051-0161

Molecular Formula

C20H25NO6S (C20 H25 NO6 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methoxyphenoxy)-N~1~-[(5-methyl-2-furyl)methyl]propanamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(2-methoxyphenoxy)-N-[(5-methylfuran-2-yl)methyl]propanamide

SMILES

CC(C(N(Cc1ccc(C)o1)C(CC1)CS1(=O)=O)=O)Oc(cccc1)c1OC

InChI

InChI=1S/C20H25NO6S/c1-14-8-9-17(26-14)12-21(16-10-11-28(23,24)13-16)20(22)15(2)27-19-7-5-4-6-18(19)25-3/h4-9,15-16H,10-13H2,1-3H3

InChI Key

RRRYTFGTCCRYNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

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

1.991

Distribution Coefficient, logD

1.991

Water Solubility, LogSw

-2.44

Polar Surface Area

65.629

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

D051-0161 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 D051-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0161?
Check Price and Availability of D051-0161, 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 D051-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0161
  • 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 D051-0161 available by request